MetOH_500 H2O_500
         0         3      5000
timestep       100      5000         0         3    0.001000
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   0.000       36.24       0.000
   0.000       0.000       36.24
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HW               2    1.008000    0.556400
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HW               3    1.008000    0.556400
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Q                4    0.000000   -1.112800
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OW               5   15.999000    0.000000
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HW               6    1.008000    0.556400
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HW               7    1.008000    0.556400
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Q                8    0.000000   -1.112800
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OW               9   15.999000    0.000000
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HW              10    1.008000    0.556400
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HW              11    1.008000    0.556400
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Q               12    0.000000   -1.112800
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OW              13   15.999000    0.000000
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HW              14    1.008000    0.556400
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HW              15    1.008000    0.556400
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Q               16    0.000000   -1.112800
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OW              17   15.999000    0.000000
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HW              18    1.008000    0.556400
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HW              19    1.008000    0.556400
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Q               20    0.000000   -1.112800
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OW              21   15.999000    0.000000
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HW              22    1.008000    0.556400
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HW              23    1.008000    0.556400
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Q               24    0.000000   -1.112800
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OW              25   15.999000    0.000000
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HW              26    1.008000    0.556400
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HW              27    1.008000    0.556400
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Q               28    0.000000   -1.112800
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OW              29   15.999000    0.000000
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HW              30    1.008000    0.556400
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HW              31    1.008000    0.556400
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Q               32    0.000000   -1.112800
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OW              33   15.999000    0.000000
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HW              34    1.008000    0.556400
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HW              35    1.008000    0.556400
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Q               36    0.000000   -1.112800
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OW              37   15.999000    0.000000
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HW              38    1.008000    0.556400
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HW              39    1.008000    0.556400
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Q               40    0.000000   -1.112800
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OW              41   15.999000    0.000000
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HW              42    1.008000    0.556400
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HW              43    1.008000    0.556400
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Q               44    0.000000   -1.112800
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OW              45   15.999000    0.000000
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HW              46    1.008000    0.556400
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HW              47    1.008000    0.556400
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Q               48    0.000000   -1.112800
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OW              49   15.999000    0.000000
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HW              50    1.008000    0.556400
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HW              51    1.008000    0.556400
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Q               52    0.000000   -1.112800
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OW              53   15.999000    0.000000
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HW              54    1.008000    0.556400
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HW              55    1.008000    0.556400
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Q               56    0.000000   -1.112800
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OW              57   15.999000    0.000000
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HW              58    1.008000    0.556400
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HW              59    1.008000    0.556400
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Q               60    0.000000   -1.112800
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OW              61   15.999000    0.000000
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HW              62    1.008000    0.556400
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HW              63    1.008000    0.556400
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OW              65   15.999000    0.000000
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HW              66    1.008000    0.556400
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HW              67    1.008000    0.556400
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Q               68    0.000000   -1.112800
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OW              69   15.999000    0.000000
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HW              70    1.008000    0.556400
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HW              71    1.008000    0.556400
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Q               72    0.000000   -1.112800
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OW              73   15.999000    0.000000
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HW              74    1.008000    0.556400
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HW              75    1.008000    0.556400
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Q               76    0.000000   -1.112800
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OW              77   15.999000    0.000000
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HW              78    1.008000    0.556400
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HW              79    1.008000    0.556400
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Q               80    0.000000   -1.112800
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OW              81   15.999000    0.000000
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HW              82    1.008000    0.556400
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HW              83    1.008000    0.556400
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Q               84    0.000000   -1.112800
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OW              85   15.999000    0.000000
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HW              86    1.008000    0.556400
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HW              87    1.008000    0.556400
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Q               88    0.000000   -1.112800
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OW              89   15.999000    0.000000
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HW              90    1.008000    0.556400
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HW              91    1.008000    0.556400
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Q               92    0.000000   -1.112800
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OW              93   15.999000    0.000000
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HW              94    1.008000    0.556400
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HW              95    1.008000    0.556400
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Q               96    0.000000   -1.112800
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OW              97   15.999000    0.000000
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HW              98    1.008000    0.556400
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HW              99    1.008000    0.556400
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Q              100    0.000000   -1.112800
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OW             101   15.999000    0.000000
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HW             102    1.008000    0.556400
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HW             103    1.008000    0.556400
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Q              104    0.000000   -1.112800
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OW             105   15.999000    0.000000
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HW             106    1.008000    0.556400
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HW             107    1.008000    0.556400
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Q              108    0.000000   -1.112800
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OW             109   15.999000    0.000000
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HW             110    1.008000    0.556400
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HW             111    1.008000    0.556400
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Q              112    0.000000   -1.112800
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OW             113   15.999000    0.000000
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HW             114    1.008000    0.556400
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HW             115    1.008000    0.556400
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OW             117   15.999000    0.000000
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HW             118    1.008000    0.556400
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HW             119    1.008000    0.556400
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HW             122    1.008000    0.556400
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HW             123    1.008000    0.556400
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OW             125   15.999000    0.000000
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HW             126    1.008000    0.556400
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HW             127    1.008000    0.556400
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OW             129   15.999000    0.000000
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HW             130    1.008000    0.556400
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HW             131    1.008000    0.556400
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 -2.3952E+00 -7.2187E+00 -1.6447E+00
Q             1940    0.000000   -1.112800
 -2.9197E+00 -6.8714E+00 -1.0421E+00
OW            1941   15.999000    0.000000
 -1.4068E+01  1.6654E+01  1.6681E+01
HW            1942    1.008000    0.556400
 -1.3900E+01  1.7113E+01  1.5857E+01
HW            1943    1.008000    0.556400
 -1.5020E+01  1.6684E+01  1.6782E+01
Q             1944    0.000000   -1.112800
 -1.4172E+01  1.6719E+01  1.6585E+01
OW            1945   15.999000    0.000000
  3.9242E+00  1.3217E+01 -1.8112E+01
HW            1946    1.008000    0.556400
  4.4548E+00  1.4013E+01 -1.8101E+01
HW            1947    1.008000    0.556400
  3.4783E+00  1.3213E+01 -1.7265E+01
Q             1948    0.000000   -1.112800
  3.9354E+00  1.3321E+01 -1.7999E+01
OW            1949   15.999000    0.000000
  1.6557E+00  1.0614E+01 -1.5024E+01
HW            1950    1.008000    0.556400
  2.0991E+00  1.1416E+01 -1.5302E+01
HW            1951    1.008000    0.556400
  1.3914E+00  1.0787E+01 -1.4120E+01
Q             1952    0.000000   -1.112800
  1.6793E+00  1.0743E+01 -1.4941E+01
OW            1953   15.999000    0.000000
  2.9387E+00 -2.3227E+00 -6.5190E+00
HW            1954    1.008000    0.556400
  2.8468E+00 -1.4567E+00 -6.1218E+00
HW            1955    1.008000    0.556400
  2.5403E+00 -2.2331E+00 -7.3847E+00
Q             1956    0.000000   -1.112800
  2.8740E+00 -2.1966E+00 -6.5808E+00
OW            1957   15.999000    0.000000
 -8.7732E-01 -1.7159E+01  1.7161E+01
HW            1958    1.008000    0.556400
 -1.3380E+00 -1.7857E+01  1.6695E+01
HW            1959    1.008000    0.556400
 -6.2330E-01 -1.6540E+01  1.6477E+01
Q             1960    0.000000   -1.112800
 -9.0459E-01 -1.7170E+01  1.7009E+01
OW            1961   15.999000    0.000000
  1.4475E+01  1.1021E+01 -9.0695E-01
HW            1962    1.008000    0.556400
  1.4494E+01  1.1975E+01 -8.3737E-01
HW            1963    1.008000    0.556400
  1.5336E+01  1.0789E+01 -1.2555E+00
Q             1964    0.000000   -1.112800
  1.4591E+01  1.1116E+01 -9.4376E-01
OW            1965   15.999000    0.000000
  1.0673E+01 -2.2853E+00 -9.1870E+00
HW            1966    1.008000    0.556400
  1.1285E+01 -2.2887E+00 -8.4504E+00
HW            1967    1.008000    0.556400
  1.1233E+01 -2.2534E+00 -9.9630E+00
Q             1968    0.000000   -1.112800
  1.0828E+01 -2.2815E+00 -9.1922E+00
OW            1969   15.999000    0.000000
  1.7638E+01  4.4765E+00  9.6857E+00
HW            1970    1.008000    0.556400
  1.7163E+01  3.9840E+00  9.0163E+00
HW            1971    1.008000    0.556400
  1.7284E+01  5.3640E+00  9.6271E+00
Q             1972    0.000000   -1.112800
  1.7529E+01  4.5286E+00  9.5896E+00
OW            1973   15.999000    0.000000
 -6.6220E+00 -1.1785E+01  9.4944E+00
HW            1974    1.008000    0.556400
 -6.2092E+00 -1.2627E+01  9.6831E+00
HW            1975    1.008000    0.556400
 -5.9305E+00 -1.1140E+01  9.6439E+00
Q             1976    0.000000   -1.112800
 -6.4763E+00 -1.1811E+01  9.5390E+00
OW            1977   15.999000    0.000000
 -1.6062E+01 -3.1579E+00 -9.4841E+00
HW            1978    1.008000    0.556400
 -1.5661E+01 -2.4980E+00 -1.0050E+01
HW            1979    1.008000    0.556400
 -1.5335E+01 -3.5015E+00 -8.9642E+00
Q             1980    0.000000   -1.112800
 -1.5913E+01 -3.1162E+00 -9.4901E+00
OW            1981   15.999000    0.000000
  4.1214E+00 -4.9040E+00 -6.3454E+00
HW            1982    1.008000    0.556400
  4.4320E+00 -5.1984E+00 -7.2016E+00
HW            1983    1.008000    0.556400
  3.6086E+00 -4.1180E+00 -6.5334E+00
Q             1984    0.000000   -1.112800
  4.0947E+00 -4.8391E+00 -6.4832E+00
OW            1985   15.999000    0.000000
  1.6901E+01  2.9560E+00  1.0417E+00
HW            1986    1.008000    0.556400
  1.7567E+01  2.9534E+00  3.5383E-01
HW            1987    1.008000    0.556400
  1.7258E+01  3.5300E+00  1.7193E+00
Q             1988    0.000000   -1.112800
  1.7036E+01  3.0314E+00  1.0403E+00
OW            1989   15.999000    0.000000
  7.4159E+00 -1.0840E+01 -3.1619E+00
HW            1990    1.008000    0.556400
  7.5905E+00 -1.1709E+01 -3.5227E+00
HW            1991    1.008000    0.556400
  7.7994E+00 -1.0862E+01 -2.2852E+00
Q             1992    0.000000   -1.112800
  7.4895E+00 -1.0958E+01 -3.0939E+00
OW            1993   15.999000    0.000000
  6.9133E+00 -4.9005E+00  1.6887E+00
HW            1994    1.008000    0.556400
  6.9448E+00 -5.8065E+00  1.3814E+00
HW            1995    1.008000    0.556400
  6.0137E+00 -4.7815E+00  1.9933E+00
Q             1996    0.000000   -1.112800
  6.7988E+00 -5.0044E+00  1.6883E+00
OW            1997   15.999000    0.000000
  1.1643E+01 -1.0397E+01  1.1309E+00
HW            1998    1.008000    0.556400
  1.2538E+01 -1.0722E+01  1.2271E+00
HW            1999    1.008000    0.556400
  1.1234E+01 -1.0563E+01  1.9805E+00
Q             2000    0.000000   -1.112800
  1.1707E+01 -1.0461E+01  1.2557E+00
CT            2001   12.011000    0.145000
  4.8999E+00 -3.0405E+00  1.7765E+01
OH            2002   15.999000   -0.698000
  4.5798E+00 -3.7088E+00 -1.7186E+01
HO            2003    1.008000    0.433000
  4.1273E+00 -3.0732E+00 -1.6589E+01
HC            2004    1.008000    0.040000
  5.1894E+00 -2.0665E+00  1.7939E+01
HC            2005    1.008000    0.040000
  4.0143E+00 -2.9725E+00  1.7053E+01
HC            2006    1.008000    0.040000
  5.6546E+00 -3.5240E+00  1.7168E+01
CT            2007   12.011000    0.145000
 -3.6628E-01  1.4574E+01 -1.7504E+01
OH            2008   15.999000   -0.698000
  4.2624E-01  1.4951E+01 -1.6410E+01
HO            2009    1.008000    0.433000
  1.9840E-01  1.5828E+01 -1.6102E+01
HC            2010    1.008000    0.040000
 -3.2031E-02  1.3612E+01 -1.7714E+01
HC            2011    1.008000    0.040000
 -1.8718E-01  1.5278E+01  1.7833E+01
HC            2012    1.008000    0.040000
 -1.4608E+00  1.4597E+01 -1.7212E+01
CT            2013   12.011000    0.145000
 -1.3947E+01  2.4470E+00 -2.3528E+00
OH            2014   15.999000   -0.698000
 -1.3787E+01  1.0433E+00 -2.5876E+00
HO            2015    1.008000    0.433000
 -1.3924E+01  5.9519E-01 -1.7247E+00
HC            2016    1.008000    0.040000
 -1.4930E+01  2.5443E+00 -1.8693E+00
HC            2017    1.008000    0.040000
 -1.4083E+01  2.9490E+00 -3.2735E+00
HC            2018    1.008000    0.040000
 -1.3128E+01  2.8475E+00 -1.7283E+00
CT            2019   12.011000    0.145000
  8.4167E+00 -6.8470E+00 -1.1862E+01
OH            2020   15.999000   -0.698000
  8.2950E+00 -5.5937E+00 -1.1272E+01
HO            2021    1.008000    0.433000
  8.1797E+00 -4.9438E+00 -1.1952E+01
HC            2022    1.008000    0.040000
  9.3143E+00 -6.7590E+00 -1.2516E+01
HC            2023    1.008000    0.040000
  7.6135E+00 -7.0724E+00 -1.2566E+01
HC            2024    1.008000    0.040000
  8.6360E+00 -7.6178E+00 -1.1133E+01
CT            2025   12.011000    0.145000
  5.3603E+00 -2.9737E+00  8.0342E+00
OH            2026   15.999000   -0.698000
  4.9767E+00 -4.2778E+00  8.0966E+00
HO            2027    1.008000    0.433000
  4.1313E+00 -4.4781E+00  8.5992E+00
HC            2028    1.008000    0.040000
  5.6113E+00 -2.8060E+00  6.9724E+00
HC            2029    1.008000    0.040000
  6.2180E+00 -2.6994E+00  8.5776E+00
HC            2030    1.008000    0.040000
  4.5577E+00 -2.4450E+00  8.2944E+00
CT            2031   12.011000    0.145000
 -1.6986E+01 -8.8902E+00  3.8944E+00
OH            2032   15.999000   -0.698000
 -1.7928E+01 -1.0004E+01  3.8293E+00
HO            2033    1.008000    0.433000
 -1.7489E+01 -1.0891E+01  3.7728E+00
HC            2034    1.008000    0.040000
 -1.6698E+01 -8.4943E+00  2.9372E+00
HC            2035    1.008000    0.040000
 -1.6155E+01 -9.0511E+00  4.5422E+00
HC            2036    1.008000    0.040000
 -1.7412E+01 -8.0638E+00  4.3564E+00
CT            2037   12.011000    0.145000
  1.0628E+01 -6.6978E+00 -6.2080E+00
OH            2038   15.999000   -0.698000
  1.1491E+01 -7.3503E+00 -7.0822E+00
HO            2039    1.008000    0.433000
  1.2265E+01 -6.8621E+00 -7.1800E+00
HC            2040    1.008000    0.040000
  1.0745E+01 -7.1522E+00 -5.2309E+00
HC            2041    1.008000    0.040000
  9.6597E+00 -6.9855E+00 -6.5744E+00
HC            2042    1.008000    0.040000
  1.0724E+01 -5.6275E+00 -6.1377E+00
CT            2043   12.011000    0.145000
 -1.3968E+01  1.7263E+01  5.4066E+00
OH            2044   15.999000   -0.698000
 -1.2886E+01  1.7616E+01  4.5953E+00
HO            2045    1.008000    0.433000
 -1.2157E+01  1.6974E+01  4.8256E+00
HC            2046    1.008000    0.040000
 -1.4816E+01  1.7392E+01  4.7669E+00
HC            2047    1.008000    0.040000
 -1.4052E+01  1.8015E+01  6.2237E+00
HC            2048    1.008000    0.040000
 -1.4084E+01  1.6239E+01  5.8163E+00
CT            2049   12.011000    0.145000
  2.7673E+00 -1.0429E+01 -4.7151E+00
OH            2050   15.999000   -0.698000
  3.6310E+00 -9.5078E+00 -4.1753E+00
HO            2051    1.008000    0.433000
  3.4700E+00 -8.5693E+00 -4.5066E+00
HC            2052    1.008000    0.040000
  2.6168E+00 -1.0286E+01 -5.8297E+00
HC            2053    1.008000    0.040000
  1.8614E+00 -1.0421E+01 -4.2072E+00
HC            2054    1.008000    0.040000
  3.1980E+00 -1.1404E+01 -4.6165E+00
CT            2055   12.011000    0.145000
  4.4874E+00 -1.0457E+01  1.7908E+01
OH            2056   15.999000   -0.698000
  5.2908E+00 -1.1665E+01  1.7577E+01
HO            2057    1.008000    0.433000
  5.1306E+00 -1.2221E+01 -1.7947E+01
HC            2058    1.008000    0.040000
  4.9770E+00 -1.0078E+01 -1.7455E+01
HC            2059    1.008000    0.040000
  3.4051E+00 -1.0725E+01  1.8028E+01
HC            2060    1.008000    0.040000
  4.6421E+00 -9.8193E+00  1.7044E+01
CT            2061   12.011000    0.145000
 -7.3273E+00 -5.4768E+00  1.7135E+01
OH            2062   15.999000   -0.698000
 -8.4929E+00 -4.6129E+00  1.7148E+01
HO            2063    1.008000    0.433000
 -8.1941E+00 -3.7265E+00  1.7131E+01
HC            2064    1.008000    0.040000
 -7.4248E+00 -6.5407E+00  1.7487E+01
HC            2065    1.008000    0.040000
 -6.5676E+00 -5.0204E+00  1.7742E+01
HC            2066    1.008000    0.040000
 -6.9595E+00 -5.5437E+00  1.6085E+01
CT            2067   12.011000    0.145000
  2.7681E+00  1.4350E+01 -1.2583E+01
OH            2068   15.999000   -0.698000
  3.8124E+00  1.4328E+01 -1.3468E+01
HO            2069    1.008000    0.433000
  4.3849E+00  1.5044E+01 -1.3234E+01
HC            2070    1.008000    0.040000
  2.0611E+00  1.3590E+01 -1.2861E+01
HC            2071    1.008000    0.040000
  2.2527E+00  1.5329E+01 -1.2637E+01
HC            2072    1.008000    0.040000
  3.0211E+00  1.4026E+01 -1.1528E+01
CT            2073   12.011000    0.145000
  1.2464E+00  1.2693E+01  2.8389E+00
OH            2074   15.999000   -0.698000
  2.1614E+00  1.2582E+01  1.7929E+00
HO            2075    1.008000    0.433000
  3.0237E+00  1.2233E+01  2.1195E+00
HC            2076    1.008000    0.040000
  8.2110E-01  1.1682E+01  3.0452E+00
HC            2077    1.008000    0.040000
  4.6085E-01  1.3414E+01  2.5267E+00
HC            2078    1.008000    0.040000
  1.6376E+00  1.3041E+01  3.7304E+00
CT            2079   12.011000    0.145000
 -1.9622E+00 -1.3604E+01  1.4200E+01
OH            2080   15.999000   -0.698000
 -2.5394E+00 -1.2347E+01  1.4202E+01
HO            2081    1.008000    0.433000
 -2.4135E+00 -1.2066E+01  1.3257E+01
HC            2082    1.008000    0.040000
 -8.4078E-01 -1.3506E+01  1.4131E+01
HC            2083    1.008000    0.040000
 -2.3999E+00 -1.4180E+01  1.3387E+01
HC            2084    1.008000    0.040000
 -2.0648E+00 -1.4145E+01  1.5133E+01
CT            2085   12.011000    0.145000
  1.0389E+01 -1.3339E-01  1.0687E+01
OH            2086   15.999000   -0.698000
  1.0672E+01 -1.5300E+00  1.0781E+01
HO            2087    1.008000    0.433000
  1.0389E+01 -1.8978E+00  9.9160E+00
HC            2088    1.008000    0.040000
  1.0493E+01  3.5905E-01  1.1578E+01
HC            2089    1.008000    0.040000
  9.3451E+00 -2.4001E-02  1.0316E+01
HC            2090    1.008000    0.040000
  1.1141E+01  2.8826E-01  9.9810E+00
CT            2091   12.011000    0.145000
  1.6455E+01  1.3047E+01 -1.6745E+01
OH            2092   15.999000   -0.698000
  1.5160E+01  1.2580E+01 -1.7305E+01
HO            2093    1.008000    0.433000
  1.4517E+01  1.2440E+01 -1.6580E+01
HC            2094    1.008000    0.040000
  1.6582E+01  1.2403E+01 -1.5879E+01
HC            2095    1.008000    0.040000
  1.6368E+01  1.4113E+01 -1.6294E+01
HC            2096    1.008000    0.040000
  1.7231E+01  1.3047E+01 -1.7510E+01
CT            2097   12.011000    0.145000
  1.2509E+01  9.1993E-01  1.0555E+00
OH            2098   15.999000   -0.698000
  1.3376E+01 -1.7018E-01  9.2007E-01
HO            2099    1.008000    0.433000
  1.4019E+01 -1.6199E-02  1.5366E+00
HC            2100    1.008000    0.040000
  1.1951E+01  7.6190E-01  2.0198E+00
HC            2101    1.008000    0.040000
  1.1857E+01  1.0888E+00  2.0517E-01
HC            2102    1.008000    0.040000
  1.3236E+01  1.7562E+00  1.1779E+00
CT            2103   12.011000    0.145000
 -1.7730E+01 -5.6493E+00  9.3149E+00
OH            2104   15.999000   -0.698000
 -1.7258E+01 -4.5342E+00  8.5445E+00
HO            2105    1.008000    0.433000
 -1.8051E+01 -4.1956E+00  8.1253E+00
HC            2106    1.008000    0.040000
 -1.6930E+01 -5.8777E+00  1.0048E+01
HC            2107    1.008000    0.040000
 -1.7801E+01 -6.6072E+00  8.7556E+00
HC            2108    1.008000    0.040000
  1.7587E+01 -5.4517E+00  9.8278E+00
CT            2109   12.011000    0.145000
  1.1122E+01  1.6004E+01  1.0945E+01
OH            2110   15.999000   -0.698000
  1.1392E+01  1.6045E+01  1.2349E+01
HO            2111    1.008000    0.433000
  1.1721E+01  1.5209E+01  1.2672E+01
HC            2112    1.008000    0.040000
  1.1035E+01  1.6964E+01  1.0460E+01
HC            2113    1.008000    0.040000
  1.0165E+01  1.5467E+01  1.0754E+01
HC            2114    1.008000    0.040000
  1.1808E+01  1.5476E+01  1.0331E+01
CT            2115   12.011000    0.145000
  7.8090E+00  1.6574E+01  1.5630E+01
OH            2116   15.999000   -0.698000
  7.1805E+00  1.5373E+01  1.5625E+01
HO            2117    1.008000    0.433000
  6.6738E+00  1.5317E+01  1.6479E+01
HC            2118    1.008000    0.040000
  8.4303E+00  1.6792E+01  1.6520E+01
HC            2119    1.008000    0.040000
  6.9853E+00  1.7318E+01  1.5501E+01
HC            2120    1.008000    0.040000
  8.6299E+00  1.6657E+01  1.4899E+01
CT            2121   12.011000    0.145000
 -8.1692E+00  1.1718E+01  7.8719E+00
OH            2122   15.999000   -0.698000
 -7.2418E+00  1.1024E+01  8.7033E+00
HO            2123    1.008000    0.433000
 -6.7494E+00  1.0438E+01  8.0898E+00
HC            2124    1.008000    0.040000
 -7.5724E+00  1.2248E+01  7.1228E+00
HC            2125    1.008000    0.040000
 -8.6666E+00  1.2471E+01  8.5684E+00
HC            2126    1.008000    0.040000
 -8.8323E+00  1.0973E+01  7.4419E+00
CT            2127   12.011000    0.145000
  2.1595E+00  8.5169E+00  6.0328E+00
OH            2128   15.999000   -0.698000
  1.8484E+00  8.7768E+00  4.6896E+00
HO            2129    1.008000    0.433000
  9.8512E-01  9.1807E+00  4.6371E+00
HC            2130    1.008000    0.040000
  1.5817E+00  7.6808E+00  6.4214E+00
HC            2131    1.008000    0.040000
  1.9549E+00  9.4240E+00  6.5806E+00
HC            2132    1.008000    0.040000
  3.1870E+00  8.1871E+00  6.1540E+00
CT            2133   12.011000    0.145000
  1.1481E+01  1.5854E+00 -6.6853E+00
OH            2134   15.999000   -0.698000
  1.2359E+01  2.0150E+00 -7.7494E+00
HO            2135    1.008000    0.433000
  1.1948E+01  2.2015E+00 -8.6031E+00
HC            2136    1.008000    0.040000
  1.1431E+01  4.8948E-01 -6.5529E+00
HC            2137    1.008000    0.040000
  1.0457E+01  1.8828E+00 -6.7991E+00
HC            2138    1.008000    0.040000
  1.1796E+01  1.9723E+00 -5.7296E+00
CT            2139   12.011000    0.145000
 -2.5853E+00 -1.1913E+01  6.8107E+00
OH            2140   15.999000   -0.698000
 -1.9229E+00 -1.0764E+01  7.1888E+00
HO            2141    1.008000    0.433000
 -1.0197E+00 -1.0981E+01  7.3717E+00
HC            2142    1.008000    0.040000
 -3.0682E+00 -1.1865E+01  5.8114E+00
HC            2143    1.008000    0.040000
 -3.4425E+00 -1.2229E+01  7.4603E+00
HC            2144    1.008000    0.040000
 -1.8306E+00 -1.2689E+01  6.7776E+00
CT            2145   12.011000    0.145000
 -1.3067E+01 -5.8266E+00  6.2985E+00
OH            2146   15.999000   -0.698000
 -1.4025E+01 -6.0937E+00  5.3103E+00
HO            2147    1.008000    0.433000
 -1.3701E+01 -6.9339E+00  4.8964E+00
HC            2148    1.008000    0.040000
 -1.3059E+01 -6.4999E+00  7.1217E+00
HC            2149    1.008000    0.040000
 -1.3241E+01 -4.8615E+00  6.6888E+00
HC            2150    1.008000    0.040000
 -1.2097E+01 -5.8988E+00  5.8300E+00
CT            2151   12.011000    0.145000
 -3.0365E+00  8.4416E-01 -9.5805E+00
OH            2152   15.999000   -0.698000
 -3.4790E+00  1.7315E+00 -8.5631E+00
HO            2153    1.008000    0.433000
 -3.6888E+00  1.2075E+00 -7.8187E+00
HC            2154    1.008000    0.040000
 -3.5336E+00  1.0821E+00 -1.0486E+01
HC            2155    1.008000    0.040000
 -3.2330E+00 -2.2153E-01 -9.3433E+00
HC            2156    1.008000    0.040000
 -1.9849E+00  9.6295E-01 -9.8036E+00
CT            2157   12.011000    0.145000
 -1.4444E+01  2.9380E+00  4.1176E+00
OH            2158   15.999000   -0.698000
 -1.3731E+01  4.1596E+00  4.0488E+00
HO            2159    1.008000    0.433000
 -1.4191E+01  4.7096E+00  3.4099E+00
HC            2160    1.008000    0.040000
 -1.3936E+01  2.2654E+00  4.8360E+00
HC            2161    1.008000    0.040000
 -1.4411E+01  2.4407E+00  3.1529E+00
HC            2162    1.008000    0.040000
 -1.5436E+01  3.0988E+00  4.4464E+00
CT            2163   12.011000    0.145000
  6.3443E+00  5.9256E+00  1.1965E+01
OH            2164   15.999000   -0.698000
  7.3556E+00  5.6452E+00  1.1059E+01
HO            2165    1.008000    0.433000
  7.3128E+00  6.2425E+00  1.0318E+01
HC            2166    1.008000    0.040000
  6.6389E+00  6.9738E+00  1.2205E+01
HC            2167    1.008000    0.040000
  6.2954E+00  5.3048E+00  1.2903E+01
HC            2168    1.008000    0.040000
  5.3773E+00  5.9666E+00  1.1446E+01
CT            2169   12.011000    0.145000
 -1.7894E+00  1.7715E+01 -1.5622E+01
OH            2170   15.999000   -0.698000
 -8.5368E-01  1.7418E+01 -1.4593E+01
HO            2171    1.008000    0.433000
 -1.4102E+00  1.6859E+01 -1.4097E+01
HC            2172    1.008000    0.040000
 -2.0475E+00  1.6647E+01 -1.5925E+01
HC            2173    1.008000    0.040000
 -1.2978E+00 -1.7928E+01 -1.6426E+01
HC            2174    1.008000    0.040000
 -2.7398E+00 -1.7986E+01 -1.5290E+01
CT            2175   12.011000    0.145000
  7.3762E+00  1.7970E+01  9.0309E+00
OH            2176   15.999000   -0.698000
  8.6420E+00 -1.8095E+01  8.4276E+00
HO            2177    1.008000    0.433000
  9.1328E+00 -1.7442E+01  8.9219E+00
HC            2178    1.008000    0.040000
  6.8082E+00  1.7304E+01  8.4469E+00
HC            2179    1.008000    0.040000
  6.9039E+00 -1.7269E+01  9.0428E+00
HC            2180    1.008000    0.040000
  7.3711E+00  1.7629E+01  1.0024E+01
CT            2181   12.011000    0.145000
  1.5387E+01 -1.2048E+01 -1.7515E+01
OH            2182   15.999000   -0.698000
  1.6498E+01 -1.2884E+01 -1.7403E+01
HO            2183    1.008000    0.433000
  1.7064E+01 -1.2787E+01  1.8038E+01
HC            2184    1.008000    0.040000
  1.5436E+01 -1.1284E+01 -1.6786E+01
HC            2185    1.008000    0.040000
  1.4455E+01 -1.2565E+01 -1.7391E+01
HC            2186    1.008000    0.040000
  1.5458E+01 -1.1509E+01  1.7750E+01
CT            2187   12.011000    0.145000
  8.5816E+00 -1.0942E+01  4.0936E+00
OH            2188   15.999000   -0.698000
  9.7946E+00 -1.0908E+01  3.3429E+00
HO            2189    1.008000    0.433000
  1.0475E+01 -1.0585E+01  3.9182E+00
HC            2190    1.008000    0.040000
  8.6868E+00 -1.1656E+01  4.8962E+00
HC            2191    1.008000    0.040000
  7.6793E+00 -1.1137E+01  3.5114E+00
HC            2192    1.008000    0.040000
  8.3212E+00 -1.0004E+01  4.5730E+00
CT            2193   12.011000    0.145000
 -1.5617E+01 -8.7861E+00 -1.3402E+00
OH            2194   15.999000   -0.698000
 -1.6341E+01 -8.8343E+00 -2.6163E-02
HO            2195    1.008000    0.433000
 -1.6400E+01 -7.9417E+00  2.9247E-01
HC            2196    1.008000    0.040000
 -1.4584E+01 -8.4435E+00 -1.2682E+00
HC            2197    1.008000    0.040000
 -1.6255E+01 -7.9852E+00 -1.9212E+00
HC            2198    1.008000    0.040000
 -1.5894E+01 -9.8534E+00 -1.7110E+00
CT            2199   12.011000    0.145000
 -1.0666E+01  1.5796E+01  1.6323E+00
OH            2200   15.999000   -0.698000
 -1.0028E+01  1.4995E+01  6.8789E-01
HO            2201    1.008000    0.433000
 -9.2549E+00  1.5361E+01  3.9791E-01
HC            2202    1.008000    0.040000
 -1.0220E+01  1.6244E+01  2.4965E+00
HC            2203    1.008000    0.040000
 -1.1544E+01  1.5247E+01  2.0229E+00
HC            2204    1.008000    0.040000
 -1.1094E+01  1.6677E+01  1.1182E+00
CT            2205   12.011000    0.145000
  1.0689E+01  1.5304E+01  7.0566E+00
OH            2206   15.999000   -0.698000
  1.0905E+01  1.4078E+01  7.6480E+00
HO            2207    1.008000    0.433000
  1.1854E+01  1.3939E+01  7.7375E+00
HC            2208    1.008000    0.040000
  1.1525E+01  1.6013E+01  7.2510E+00
HC            2209    1.008000    0.040000
  9.7083E+00  1.5651E+01  7.3202E+00
HC            2210    1.008000    0.040000
  1.0674E+01  1.5114E+01  5.9889E+00
CT            2211   12.011000    0.145000
 -1.2165E+01 -1.2864E+01 -9.8164E+00
OH            2212   15.999000   -0.698000
 -1.1006E+01 -1.2135E+01 -1.0159E+01
HO            2213    1.008000    0.433000
 -1.0238E+01 -1.2645E+01 -9.8284E+00
HC            2214    1.008000    0.040000
 -1.2425E+01 -1.3643E+01 -1.0598E+01
HC            2215    1.008000    0.040000
 -1.2931E+01 -1.2107E+01 -9.6859E+00
HC            2216    1.008000    0.040000
 -1.2013E+01 -1.3423E+01 -8.9050E+00
CT            2217   12.011000    0.145000
  2.2455E+00 -1.3332E+01  1.5952E+01
OH            2218   15.999000   -0.698000
  1.5171E+00 -1.4285E+01  1.6660E+01
HO            2219    1.008000    0.433000
  8.7919E-01 -1.3852E+01  1.7299E+01
HC            2220    1.008000    0.040000
  2.9881E+00 -1.2704E+01  1.6442E+01
HC            2221    1.008000    0.040000
  1.6161E+00 -1.2558E+01  1.5500E+01
HC            2222    1.008000    0.040000
  2.9571E+00 -1.3733E+01  1.5198E+01
CT            2223   12.011000    0.145000
  1.5261E+01 -1.3451E+01  9.6199E+00
OH            2224   15.999000   -0.698000
  1.5246E+01 -1.2675E+01  8.3808E+00
HO            2225    1.008000    0.433000
  1.6148E+01 -1.2357E+01  8.2780E+00
HC            2226    1.008000    0.040000
  1.4299E+01 -1.3774E+01  1.0014E+01
HC            2227    1.008000    0.040000
  1.5874E+01 -1.2868E+01  1.0296E+01
HC            2228    1.008000    0.040000
  1.5877E+01 -1.4307E+01  9.3943E+00
CT            2229   12.011000    0.145000
 -7.2819E+00  9.9467E+00  1.2021E+01
OH            2230   15.999000   -0.698000
 -8.0899E+00  9.4922E+00  1.0946E+01
HO            2231    1.008000    0.433000
 -7.9309E+00  1.0068E+01  1.0180E+01
HC            2232    1.008000    0.040000
 -6.3614E+00  9.4370E+00  1.1985E+01
HC            2233    1.008000    0.040000
 -7.8423E+00  9.7279E+00  1.2901E+01
HC            2234    1.008000    0.040000
 -7.1226E+00  1.1059E+01  1.1924E+01
CT            2235   12.011000    0.145000
  1.7564E+01  1.7724E+01 -6.6498E+00
OH            2236   15.999000   -0.698000
  1.6547E+01 -1.7592E+01 -6.1584E+00
HO            2237    1.008000    0.433000
  1.7090E+01 -1.6941E+01 -5.6305E+00
HC            2238    1.008000    0.040000
 -1.8085E+01  1.7378E+01 -5.7947E+00
HC            2239    1.008000    0.040000
 -1.8046E+01 -1.7866E+01 -7.3239E+00
HC            2240    1.008000    0.040000
  1.7198E+01  1.6811E+01 -7.1385E+00
CT            2241   12.011000    0.145000
  2.1949E+00  8.0594E+00 -7.6423E+00
OH            2242   15.999000   -0.698000
  1.2919E+00  8.6929E+00 -8.4727E+00
HO            2243    1.008000    0.433000
  1.6659E+00  8.6572E+00 -9.4045E+00
HC            2244    1.008000    0.040000
  1.7598E+00  8.0226E+00 -6.6054E+00
HC            2245    1.008000    0.040000
  3.1722E+00  8.5234E+00 -7.6906E+00
HC            2246    1.008000    0.040000
  2.2358E+00  7.0571E+00 -7.9311E+00
CT            2247   12.011000    0.145000
  9.0505E+00  5.8568E+00 -1.3394E+01
OH            2248   15.999000   -0.698000
  8.9891E+00  5.6758E+00 -1.2053E+01
HO            2249    1.008000    0.433000
  9.3936E+00  4.7905E+00 -1.1896E+01
HC            2250    1.008000    0.040000
  1.0043E+01  5.6812E+00 -1.3773E+01
HC            2251    1.008000    0.040000
  8.8603E+00  6.8593E+00 -1.3671E+01
HC            2252    1.008000    0.040000
  8.3813E+00  5.1004E+00 -1.3868E+01
CT            2253   12.011000    0.145000
 -1.1407E+01  7.2112E+00 -1.0117E+01
OH            2254   15.999000   -0.698000
 -1.0329E+01  7.5868E+00 -1.0904E+01
HO            2255    1.008000    0.433000
 -9.5641E+00  7.2520E+00 -1.0447E+01
HC            2256    1.008000    0.040000
 -1.2064E+01  6.3950E+00 -1.0547E+01
HC            2257    1.008000    0.040000
 -1.2034E+01  8.0856E+00 -9.9389E+00
HC            2258    1.008000    0.040000
 -1.1156E+01  6.8883E+00 -9.1002E+00
CT            2259   12.011000    0.145000
 -5.1007E+00  9.1257E+00  1.7782E+01
OH            2260   15.999000   -0.698000
 -5.1610E+00  1.0506E+01  1.7714E+01
HO            2261    1.008000    0.433000
 -4.6454E+00  1.0805E+01 -1.7718E+01
HC            2262    1.008000    0.040000
 -4.9182E+00  8.8123E+00  1.6792E+01
HC            2263    1.008000    0.040000
 -5.9635E+00  8.5878E+00 -1.8025E+01
HC            2264    1.008000    0.040000
 -4.1818E+00  8.9191E+00 -1.7912E+01
CT            2265   12.011000    0.145000
 -1.7617E+01  1.6925E+01  7.3597E+00
OH            2266   15.999000   -0.698000
 -1.7805E+01  1.6090E+01  8.4427E+00
HO            2267    1.008000    0.433000
 -1.7176E+01  1.6344E+01  9.1326E+00
HC            2268    1.008000    0.040000
  1.7952E+01  1.6665E+01  6.5640E+00
HC            2269    1.008000    0.040000
 -1.6607E+01  1.6678E+01  6.9913E+00
HC            2270    1.008000    0.040000
 -1.7614E+01  1.7948E+01  7.6096E+00
CT            2271   12.011000    0.145000
 -7.7686E+00  7.9802E+00  1.5705E+01
OH            2272   15.999000   -0.698000
 -8.3043E+00  6.6468E+00  1.5615E+01
HO            2273    1.008000    0.433000
 -8.0160E+00  6.1862E+00  1.4789E+01
HC            2274    1.008000    0.040000
 -7.8805E+00  8.0776E+00  1.6750E+01
HC            2275    1.008000    0.040000
 -8.3765E+00  8.7256E+00  1.5170E+01
HC            2276    1.008000    0.040000
 -6.7414E+00  7.9446E+00  1.5409E+01
CT            2277   12.011000    0.145000
 -5.8979E-01 -7.8062E+00 -1.1402E+01
OH            2278   15.999000   -0.698000
 -6.2148E-01 -6.6289E+00 -1.0649E+01
HO            2279    1.008000    0.433000
  2.8991E-01 -6.3710E+00 -1.0500E+01
HC            2280    1.008000    0.040000
 -1.6415E+00 -8.1484E+00 -1.1390E+01
HC            2281    1.008000    0.040000
 -3.1316E-02 -8.5054E+00 -1.0816E+01
HC            2282    1.008000    0.040000
 -1.7394E-01 -7.6269E+00 -1.2421E+01
CT            2283   12.011000    0.145000
 -8.1163E+00  1.7137E+00  8.5885E+00
OH            2284   15.999000   -0.698000
 -7.5493E+00  2.9995E+00  8.7849E+00
HO            2285    1.008000    0.433000
 -8.1744E+00  3.6120E+00  8.4317E+00
HC            2286    1.008000    0.040000
 -8.0403E+00  1.1668E+00  9.5079E+00
HC            2287    1.008000    0.040000
 -7.5686E+00  1.0743E+00  7.8311E+00
HC            2288    1.008000    0.040000
 -9.0513E+00  1.9247E+00  8.2394E+00
CT            2289   12.011000    0.145000
 -8.9401E+00 -7.0310E+00 -8.9685E+00
OH            2290   15.999000   -0.698000
 -9.9772E+00 -7.3367E+00 -9.9275E+00
HO            2291    1.008000    0.433000
 -9.5528E+00 -8.0349E+00 -1.0419E+01
HC            2292    1.008000    0.040000
 -8.6548E+00 -7.9237E+00 -8.4806E+00
HC            2293    1.008000    0.040000
 -9.2646E+00 -6.3144E+00 -8.1994E+00
HC            2294    1.008000    0.040000
 -8.0656E+00 -6.6929E+00 -9.4643E+00
CT            2295   12.011000    0.145000
 -1.5247E+01 -1.0975E+01  1.2823E+01
OH            2296   15.999000   -0.698000
 -1.6401E+01 -1.0681E+01  1.2072E+01
HO            2297    1.008000    0.433000
 -1.6359E+01 -9.7158E+00  1.2026E+01
HC            2298    1.008000    0.040000
 -1.4421E+01 -1.0693E+01  1.2215E+01
HC            2299    1.008000    0.040000
 -1.5224E+01 -1.2035E+01  1.3094E+01
HC            2300    1.008000    0.040000
 -1.5177E+01 -1.0308E+01  1.3664E+01
CT            2301   12.011000    0.145000
  1.0304E+01 -6.2027E+00  1.3598E+01
OH            2302   15.999000   -0.698000
  1.1130E+01 -6.8649E+00  1.2623E+01
HO            2303    1.008000    0.433000
  1.0717E+01 -6.6071E+00  1.1774E+01
HC            2304    1.008000    0.040000
  1.0731E+01 -6.2229E+00  1.4586E+01
HC            2305    1.008000    0.040000
  9.2599E+00 -6.5942E+00  1.3628E+01
HC            2306    1.008000    0.040000
  1.0118E+01 -5.1970E+00  1.3291E+01
CT            2307   12.011000    0.145000
 -1.5734E+01  7.4634E+00 -7.1883E+00
OH            2308   15.999000   -0.698000
 -1.5755E+01  6.5310E+00 -6.1423E+00
HO            2309    1.008000    0.433000
 -1.4829E+01  6.3635E+00 -6.0734E+00
HC            2310    1.008000    0.040000
 -1.4970E+01  7.1980E+00 -7.9148E+00
HC            2311    1.008000    0.040000
 -1.5645E+01  8.5173E+00 -6.7468E+00
HC            2312    1.008000    0.040000
 -1.6791E+01  7.3227E+00 -7.6723E+00
CT            2313   12.011000    0.145000
  1.4541E+00 -8.4798E+00  1.6726E+01
OH            2314   15.999000   -0.698000
  1.8839E+00 -8.4249E+00  1.8094E+01
HO            2315    1.008000    0.433000
  2.6336E+00 -7.8225E+00  1.8069E+01
HC            2316    1.008000    0.040000
  2.3644E+00 -8.6016E+00  1.6170E+01
HC            2317    1.008000    0.040000
  1.1441E+00 -7.4633E+00  1.6536E+01
HC            2318    1.008000    0.040000
  6.8528E-01 -9.1842E+00  1.6449E+01
CT            2319   12.011000    0.145000
  1.3694E+01  1.4152E+01 -1.9520E+00
OH            2320   15.999000   -0.698000
  1.4571E+01  1.3950E+01 -8.5337E-01
HO            2321    1.008000    0.433000
  1.4879E+01  1.4840E+01 -6.3442E-01
HC            2322    1.008000    0.040000
  1.2957E+01  1.4851E+01 -1.8035E+00
HC            2323    1.008000    0.040000
  1.3128E+01  1.3253E+01 -2.1660E+00
HC            2324    1.008000    0.040000
  1.4293E+01  1.4517E+01 -2.7961E+00
CT            2325   12.011000    0.145000
  6.4452E-01 -2.7860E+00  9.3033E+00
OH            2326   15.999000   -0.698000
  7.1651E-01 -3.8415E+00  1.0292E+01
HO            2327    1.008000    0.433000
 -1.1744E-01 -3.9131E+00  1.0702E+01
HC            2328    1.008000    0.040000
 -4.5701E-01 -2.6437E+00  9.1144E+00
HC            2329    1.008000    0.040000
  9.4880E-01 -2.8879E+00  8.2233E+00
HC            2330    1.008000    0.040000
  1.0902E+00 -1.8715E+00  9.7466E+00
CT            2331   12.011000    0.145000
  1.5916E+01  3.5649E+00 -1.6824E+01
OH            2332   15.999000   -0.698000
  1.6635E+01  3.0615E+00 -1.7931E+01
HO            2333    1.008000    0.433000
  1.7213E+01  2.2957E+00 -1.7633E+01
HC            2334    1.008000    0.040000
  1.5030E+01  4.2197E+00 -1.7075E+01
HC            2335    1.008000    0.040000
  1.6617E+01  4.1312E+00 -1.6258E+01
HC            2336    1.008000    0.040000
  1.5652E+01  2.6947E+00 -1.6187E+01
CT            2337   12.011000    0.145000
  1.0549E+01 -6.3331E+00  5.9585E+00
OH            2338   15.999000   -0.698000
  9.2723E+00 -5.7474E+00  6.1462E+00
HO            2339    1.008000    0.433000
  9.0000E+00 -5.4094E+00  5.2697E+00
HC            2340    1.008000    0.040000
  1.0456E+01 -7.2877E+00  5.5538E+00
HC            2341    1.008000    0.040000
  1.1117E+01 -6.4053E+00  6.8754E+00
HC            2342    1.008000    0.040000
  1.1168E+01 -5.7964E+00  5.3081E+00
CT            2343   12.011000    0.145000
  9.8682E+00  1.7677E+01 -1.6018E+01
OH            2344   15.999000   -0.698000
  1.0415E+01  1.7486E+01 -1.7343E+01
HO            2345    1.008000    0.433000
  1.1038E+01  1.6764E+01 -1.7316E+01
HC            2346    1.008000    0.040000
  9.0917E+00 -1.7816E+01 -1.5941E+01
HC            2347    1.008000    0.040000
  1.0676E+01  1.7849E+01 -1.5276E+01
HC            2348    1.008000    0.040000
  9.3994E+00  1.6788E+01 -1.5576E+01
CT            2349   12.011000    0.145000
 -9.8741E+00  1.3710E+01 -5.4201E+00
OH            2350   15.999000   -0.698000
 -1.1189E+01  1.3101E+01 -5.5258E+00
HO            2351    1.008000    0.433000
 -1.1298E+01  1.2413E+01 -4.8857E+00
HC            2352    1.008000    0.040000
 -9.6614E+00  1.4117E+01 -4.4066E+00
HC            2353    1.008000    0.040000
 -9.6203E+00  1.4512E+01 -6.1470E+00
HC            2354    1.008000    0.040000
 -9.1344E+00  1.2921E+01 -5.4901E+00
CT            2355   12.011000    0.145000
 -7.4334E-01 -7.3706E+00  1.0968E+01
OH            2356   15.999000   -0.698000
 -3.5665E-01 -8.0738E+00  9.7410E+00
HO            2357    1.008000    0.433000
 -1.1787E+00 -8.3906E+00  9.3317E+00
HC            2358    1.008000    0.040000
  8.3557E-02 -6.7741E+00  1.1431E+01
HC            2359    1.008000    0.040000
 -1.2676E+00 -8.0074E+00  1.1717E+01
HC            2360    1.008000    0.040000
 -1.5094E+00 -6.6054E+00  1.0677E+01
CT            2361   12.011000    0.145000
 -7.4398E+00 -6.9849E+00 -3.5986E+00
OH            2362   15.999000   -0.698000
 -7.9954E+00 -6.6241E+00 -4.8234E+00
HO            2363    1.008000    0.433000
 -8.8202E+00 -7.1377E+00 -4.8520E+00
HC            2364    1.008000    0.040000
 -6.5328E+00 -6.3882E+00 -3.5964E+00
HC            2365    1.008000    0.040000
 -7.1911E+00 -8.0711E+00 -3.5464E+00
HC            2366    1.008000    0.040000
 -7.9287E+00 -6.7111E+00 -2.6554E+00
CT            2367   12.011000    0.145000
  2.6311E+00 -8.9872E+00 -1.1916E+01
OH            2368   15.999000   -0.698000
  3.7527E+00 -9.7000E+00 -1.2352E+01
HO            2369    1.008000    0.433000
  4.5275E+00 -9.4301E+00 -1.1873E+01
HC            2370    1.008000    0.040000
  2.8885E+00 -7.9738E+00 -1.1834E+01
HC            2371    1.008000    0.040000
  2.4148E+00 -9.3066E+00 -1.0880E+01
HC            2372    1.008000    0.040000
  1.7722E+00 -9.1905E+00 -1.2576E+01
CT            2373   12.011000    0.145000
  1.7425E+01  1.4004E+01  2.6227E-01
OH            2374   15.999000   -0.698000
 -1.7552E+01  1.4392E+01  7.5764E-01
HO            2375    1.008000    0.433000
 -1.7078E+01  1.3611E+01  7.1754E-01
HC            2376    1.008000    0.040000
  1.7564E+01  1.3104E+01 -3.2130E-01
HC            2377    1.008000    0.040000
  1.7154E+01  1.4845E+01 -4.4562E-01
HC            2378    1.008000    0.040000
  1.6632E+01  1.3956E+01  1.0619E+00
CT            2379   12.011000    0.145000
  8.7859E+00  1.4148E+01 -1.7331E+01
OH            2380   15.999000   -0.698000
  7.5390E+00  1.4492E+01 -1.6909E+01
HO            2381    1.008000    0.433000
  7.3107E+00  1.3757E+01 -1.6305E+01
HC            2382    1.008000    0.040000
  9.2854E+00  1.3652E+01 -1.6517E+01
HC            2383    1.008000    0.040000
  9.3255E+00  1.5009E+01 -1.7587E+01
HC            2384    1.008000    0.040000
  8.7674E+00  1.3523E+01  1.8064E+01
CT            2385   12.011000    0.145000
 -1.6677E+01  9.0811E-01  1.3540E+00
OH            2386   15.999000   -0.698000
 -1.6229E+01 -4.5083E-01  1.4702E+00
HO            2387    1.008000    0.433000
 -1.6761E+01 -9.9316E-01  2.0587E+00
HC            2388    1.008000    0.040000
 -1.6789E+01  1.2801E+00  2.3665E+00
HC            2389    1.008000    0.040000
 -1.7669E+01  9.1678E-01  8.4005E-01
HC            2390    1.008000    0.040000
 -1.6012E+01  1.6480E+00  8.8798E-01
CT            2391   12.011000    0.145000
  2.2195E+00 -4.3457E-01 -1.0638E+01
OH            2392   15.999000   -0.698000
  2.7096E+00 -1.4083E+00 -9.6755E+00
HO            2393    1.008000    0.433000
  3.6493E+00 -1.4324E+00 -9.7864E+00
HC            2394    1.008000    0.040000
  2.6142E+00 -7.4223E-01 -1.1601E+01
HC            2395    1.008000    0.040000
  2.6461E+00  6.0209E-01 -1.0463E+01
HC            2396    1.008000    0.040000
  1.1240E+00 -4.8806E-01 -1.0637E+01
CT            2397   12.011000    0.145000
  1.5558E+01 -2.1504E+00 -1.1272E+01
OH            2398   15.999000   -0.698000
  1.6608E+01 -1.6837E+00 -1.0493E+01
HO            2399    1.008000    0.433000
  1.6870E+01 -2.3260E+00 -9.8017E+00
HC            2400    1.008000    0.040000
  1.5416E+01 -1.7515E+00 -1.2264E+01
HC            2401    1.008000    0.040000
  1.4609E+01 -2.0013E+00 -1.0806E+01
HC            2402    1.008000    0.040000
  1.5614E+01 -3.2540E+00 -1.1271E+01
CT            2403   12.011000    0.145000
  6.2671E+00  5.2134E+00 -5.8710E+00
OH            2404   15.999000   -0.698000
  5.3854E+00  6.0380E+00 -6.5889E+00
HO            2405    1.008000    0.433000
  4.6372E+00  5.4928E+00 -6.6017E+00
HC            2406    1.008000    0.040000
  5.7765E+00  4.7696E+00 -4.9950E+00
HC            2407    1.008000    0.040000
  7.2231E+00  5.6724E+00 -5.6938E+00
HC            2408    1.008000    0.040000
  6.4631E+00  4.3068E+00 -6.4302E+00
CT            2409   12.011000    0.145000
  1.1991E+01 -5.7699E+00 -1.0660E+01
OH            2410   15.999000   -0.698000
  1.1185E+01 -6.8507E+00 -1.0304E+01
HO            2411    1.008000    0.433000
  1.0493E+01 -6.5147E+00 -9.7337E+00
HC            2412    1.008000    0.040000
  1.1485E+01 -4.9127E+00 -1.1070E+01
HC            2413    1.008000    0.040000
  1.2717E+01 -6.0771E+00 -1.1375E+01
HC            2414    1.008000    0.040000
  1.2387E+01 -5.3491E+00 -9.7909E+00
CT            2415   12.011000    0.145000
 -5.5402E+00 -1.2601E+01 -1.0603E+01
OH            2416   15.999000   -0.698000
 -4.8768E+00 -1.3155E+01 -9.5197E+00
HO            2417    1.008000    0.433000
 -4.9873E+00 -1.4073E+01 -9.5977E+00
HC            2418    1.008000    0.040000
 -4.7649E+00 -1.2630E+01 -1.1327E+01
HC            2419    1.008000    0.040000
 -5.7711E+00 -1.1578E+01 -1.0463E+01
HC            2420    1.008000    0.040000
 -6.3791E+00 -1.3164E+01 -1.1017E+01
CT            2421   12.011000    0.145000
 -1.0138E+01  8.7568E+00 -6.6019E+00
OH            2422   15.999000   -0.698000
 -1.0969E+01  7.9046E+00 -5.8861E+00
HO            2423    1.008000    0.433000
 -1.0476E+01  7.5542E+00 -5.2282E+00
HC            2424    1.008000    0.040000
 -9.5436E+00  7.9731E+00 -7.0889E+00
HC            2425    1.008000    0.040000
 -9.4691E+00  9.3171E+00 -6.0433E+00
HC            2426    1.008000    0.040000
 -1.0782E+01  9.2927E+00 -7.3145E+00
CT            2427   12.011000    0.145000
  1.7548E+01  3.7280E+00  4.3395E+00
OH            2428   15.999000   -0.698000
  1.8080E+01  4.2447E+00  3.1305E+00
HO            2429    1.008000    0.433000
 -1.7611E+01  4.9919E+00  3.4187E+00
HC            2430    1.008000    0.040000
  1.8000E+01  2.6696E+00  4.4752E+00
HC            2431    1.008000    0.040000
  1.6428E+01  3.6101E+00  4.4801E+00
HC            2432    1.008000    0.040000
  1.7894E+01  4.2273E+00  5.2137E+00
CT            2433   12.011000    0.145000
  9.2912E+00 -5.1777E+00 -6.0009E-01
OH            2434   15.999000   -0.698000
  8.4663E+00 -4.0389E+00 -7.1990E-01
HO            2435    1.008000    0.433000
  7.9995E+00 -3.9871E+00  1.1815E-01
HC            2436    1.008000    0.040000
  1.0194E+01 -5.1509E+00  5.7630E-02
HC            2437    1.008000    0.040000
  9.5848E+00 -5.5898E+00 -1.6361E+00
HC            2438    1.008000    0.040000
  8.6727E+00 -6.0206E+00 -1.6265E-01
CT            2439   12.011000    0.145000
 -9.1101E+00  1.6798E+01 -1.5618E+01
OH            2440   15.999000   -0.698000
 -9.1985E+00  1.6609E+01 -1.7052E+01
HO            2441    1.008000    0.433000
 -9.6598E+00  1.5779E+01 -1.7066E+01
HC            2442    1.008000    0.040000
 -8.2019E+00  1.6334E+01 -1.5213E+01
HC            2443    1.008000    0.040000
 -9.8961E+00  1.6202E+01 -1.5032E+01
HC            2444    1.008000    0.040000
 -9.1518E+00  1.7882E+01 -1.5443E+01
CT            2445   12.011000    0.145000
 -2.3545E+00 -8.3035E+00 -1.5360E+01
OH            2446   15.999000   -0.698000
 -2.5845E+00 -7.0422E+00 -1.4701E+01
HO            2447    1.008000    0.433000
 -3.5267E+00 -7.0299E+00 -1.4657E+01
HC            2448    1.008000    0.040000
 -2.1984E+00 -8.9738E+00 -1.4506E+01
HC            2449    1.008000    0.040000
 -1.4317E+00 -8.2211E+00 -1.5937E+01
HC            2450    1.008000    0.040000
 -3.2011E+00 -8.6678E+00 -1.6009E+01
CT            2451   12.011000    0.145000
  6.7460E+00  1.3992E+01  7.4166E+00
OH            2452   15.999000   -0.698000
  6.7400E+00  1.3222E+01  8.5922E+00
HO            2453    1.008000    0.433000
  5.8265E+00  1.2955E+01  8.7538E+00
HC            2454    1.008000    0.040000
  7.6825E+00  1.4490E+01  7.1723E+00
HC            2455    1.008000    0.040000
  6.0549E+00  1.4883E+01  7.6115E+00
HC            2456    1.008000    0.040000
  6.3250E+00  1.3458E+01  6.6081E+00
CT            2457   12.011000    0.145000
  1.1195E+01  9.1526E+00 -1.3724E+01
OH            2458   15.999000   -0.698000
  9.9258E+00  9.8283E+00 -1.3455E+01
HO            2459    1.008000    0.433000
  9.8488E+00  9.8680E+00 -1.2535E+01
HC            2460    1.008000    0.040000
  1.1099E+01  8.9818E+00 -1.4829E+01
HC            2461    1.008000    0.040000
  1.1375E+01  8.1553E+00 -1.3249E+01
HC            2462    1.008000    0.040000
  1.1936E+01  9.8460E+00 -1.3431E+01
CT            2463   12.011000    0.145000
  6.2956E+00 -1.4292E+01 -1.5851E+00
OH            2464   15.999000   -0.698000
  7.0776E+00 -1.5136E+01 -2.4505E+00
HO            2465    1.008000    0.433000
  6.5523E+00 -1.5807E+01 -2.8966E+00
HC            2466    1.008000    0.040000
  5.5056E+00 -1.3784E+01 -2.0231E+00
HC            2467    1.008000    0.040000
  7.0460E+00 -1.3581E+01 -1.2596E+00
HC            2468    1.008000    0.040000
  5.8046E+00 -1.4796E+01 -6.4389E-01
CT            2469   12.011000    0.145000
  1.5052E+01 -1.4933E+01 -1.2049E+00
OH            2470   15.999000   -0.698000
  1.3835E+01 -1.5316E+01 -1.7633E+00
HO            2471    1.008000    0.433000
  1.3889E+01 -1.5330E+01 -2.7449E+00
HC            2472    1.008000    0.040000
  1.5778E+01 -1.5769E+01 -1.1616E+00
HC            2473    1.008000    0.040000
  1.5043E+01 -1.4797E+01 -1.5664E-01
HC            2474    1.008000    0.040000
  1.5580E+01 -1.4096E+01 -1.7704E+00
CT            2475   12.011000    0.145000
  1.6084E+01 -1.7973E+00 -5.9467E-01
OH            2476   15.999000   -0.698000
  1.5779E+01 -1.4880E+00 -1.9869E+00
HO            2477    1.008000    0.433000
  1.4915E+01 -1.8104E+00 -2.2087E+00
HC            2478    1.008000    0.040000
  1.5521E+01 -2.7028E+00 -2.8433E-01
HC            2479    1.008000    0.040000
  1.5909E+01 -9.8865E-01  9.7109E-02
HC            2480    1.008000    0.040000
  1.7158E+01 -2.0074E+00 -5.4346E-01
CT            2481   12.011000    0.145000
 -6.0404E-01  1.6097E+01  3.6668E+00
OH            2482   15.999000   -0.698000
 -1.0277E+00  1.5290E+01  4.7558E+00
HO            2483    1.008000    0.433000
 -2.5592E-01  1.5029E+01  5.2812E+00
HC            2484    1.008000    0.040000
  4.1137E-01  1.5897E+01  3.4026E+00
HC            2485    1.008000    0.040000
 -8.0935E-01  1.7098E+01  3.9336E+00
HC            2486    1.008000    0.040000
 -1.1758E+00  1.5931E+01  2.7562E+00
CT            2487   12.011000    0.145000
  6.5155E+00 -4.3853E+00 -3.6896E+00
OH            2488   15.999000   -0.698000
  7.5814E+00 -4.9837E+00 -4.4018E+00
HO            2489    1.008000    0.433000
  7.5460E+00 -5.9566E+00 -4.2803E+00
HC            2490    1.008000    0.040000
  5.6830E+00 -4.9142E+00 -4.1355E+00
HC            2491    1.008000    0.040000
  6.4356E+00 -3.3675E+00 -3.8049E+00
HC            2492    1.008000    0.040000
  6.6705E+00 -4.5497E+00 -2.6240E+00
CT            2493   12.011000    0.145000
 -1.0848E+01 -3.1501E+00  4.6361E+00
OH            2494   15.999000   -0.698000
 -9.9417E+00 -4.1084E+00  5.0337E+00
HO            2495    1.008000    0.433000
 -9.4293E+00 -4.2140E+00  4.2393E+00
HC            2496    1.008000    0.040000
 -1.0302E+01 -2.2579E+00  4.3958E+00
HC            2497    1.008000    0.040000
 -1.1539E+01 -3.1079E+00  5.4591E+00
HC            2498    1.008000    0.040000
 -1.1295E+01 -3.5226E+00  3.7299E+00
CT            2499   12.011000    0.145000
  1.4674E+01 -8.9638E+00  1.0855E+01
OH            2500   15.999000   -0.698000
  1.4402E+01 -9.6622E+00  9.6982E+00
HO            2501    1.008000    0.433000
  1.3628E+01 -1.0182E+01  9.9764E+00
HC            2502    1.008000    0.040000
  1.3752E+01 -8.8256E+00  1.1441E+01
HC            2503    1.008000    0.040000
  1.5147E+01 -8.0091E+00  1.0632E+01
HC            2504    1.008000    0.040000
  1.5353E+01 -9.5265E+00  1.1447E+01
CT            2505   12.011000    0.145000
 -4.2341E+00  5.4279E+00 -5.5027E+00
OH            2506   15.999000   -0.698000
 -4.3785E+00  6.8642E+00 -5.4713E+00
HO            2507    1.008000    0.433000
 -3.4854E+00  7.0598E+00 -5.8025E+00
HC            2508    1.008000    0.040000
 -4.6128E+00  4.9847E+00 -6.4387E+00
HC            2509    1.008000    0.040000
 -4.8747E+00  5.0906E+00 -4.7248E+00
HC            2510    1.008000    0.040000
 -3.1850E+00  5.0441E+00 -5.2407E+00
CT            2511   12.011000    0.145000
 -1.3923E+01  1.6483E+01  1.5257E-02
OH            2512   15.999000   -0.698000
 -1.3452E+01  1.5169E+01 -2.7296E-01
HO            2513    1.008000    0.433000
 -1.3592E+01  1.4628E+01  4.8729E-01
HC            2514    1.008000    0.040000
 -1.4649E+01  1.6464E+01  7.9257E-01
HC            2515    1.008000    0.040000
 -1.4213E+01  1.7025E+01 -9.0515E-01
HC            2516    1.008000    0.040000
 -1.3123E+01  1.7029E+01  5.4571E-01
CT            2517   12.011000    0.145000
 -2.4488E+00 -5.7102E+00  1.5029E+01
OH            2518   15.999000   -0.698000
 -2.5991E+00 -4.3478E+00  1.5132E+01
HO            2519    1.008000    0.433000
 -3.1077E+00 -4.1469E+00  1.5942E+01
HC            2520    1.008000    0.040000
 -2.2450E+00 -6.1997E+00  1.6036E+01
HC            2521    1.008000    0.040000
 -1.5802E+00 -6.0170E+00  1.4379E+01
HC            2522    1.008000    0.040000
 -3.3226E+00 -6.2156E+00  1.4593E+01
CT            2523   12.011000    0.145000
  7.7426E+00 -2.7630E-01  7.1117E-01
OH            2524   15.999000   -0.698000
  6.7545E+00  7.3666E-01  4.6347E-01
HO            2525    1.008000    0.433000
  7.2928E+00  1.5185E+00  4.0819E-01
HC            2526    1.008000    0.040000
  8.4159E+00 -4.3727E-01 -1.4128E-01
HC            2527    1.008000    0.040000
  7.3851E+00 -1.2738E+00  1.0134E+00
HC            2528    1.008000    0.040000
  8.3907E+00 -2.2958E-02  1.5558E+00
CT            2529   12.011000    0.145000
  1.1913E+01  1.2605E+01 -1.4796E+01
OH            2530   15.999000   -0.698000
  1.3257E+01  1.2915E+01 -1.5170E+01
HO            2531    1.008000    0.433000
  1.3461E+01  1.3765E+01 -1.4673E+01
HC            2532    1.008000    0.040000
  1.1404E+01  1.3557E+01 -1.4759E+01
HC            2533    1.008000    0.040000
  1.1921E+01  1.2122E+01 -1.3785E+01
HC            2534    1.008000    0.040000
  1.1361E+01  1.1945E+01 -1.5428E+01
CT            2535   12.011000    0.145000
 -4.6502E-01 -1.8884E+00 -1.5554E+01
OH            2536   15.999000   -0.698000
  1.2360E-01 -6.3907E-01 -1.5495E+01
HO            2537    1.008000    0.433000
 -2.8575E-01 -1.6149E-01 -1.6258E+01
HC            2538    1.008000    0.040000
 -5.5005E-01 -2.2556E+00 -1.6574E+01
HC            2539    1.008000    0.040000
 -1.4556E+00 -1.6194E+00 -1.5225E+01
HC            2540    1.008000    0.040000
 -5.0538E-02 -2.7594E+00 -1.4915E+01
CT            2541   12.011000    0.145000
 -7.9528E+00  5.6071E+00  4.0835E+00
OH            2542   15.999000   -0.698000
 -7.3755E+00  5.9442E+00  5.3178E+00
HO            2543    1.008000    0.433000
 -7.8280E+00  6.7862E+00  5.6006E+00
HC            2544    1.008000    0.040000
 -9.0269E+00  5.3965E+00  4.1721E+00
HC            2545    1.008000    0.040000
 -7.6025E+00  4.6991E+00  3.6864E+00
HC            2546    1.008000    0.040000
 -7.7535E+00  6.4420E+00  3.4021E+00
CT            2547   12.011000    0.145000
 -9.0968E+00 -1.4107E+01 -1.2824E+01
OH            2548   15.999000   -0.698000
 -9.0660E+00 -1.4698E+01 -1.1548E+01
HO            2549    1.008000    0.433000
 -8.2111E+00 -1.4988E+01 -1.1347E+01
HC            2550    1.008000    0.040000
 -8.0378E+00 -1.3782E+01 -1.3124E+01
HC            2551    1.008000    0.040000
 -9.6936E+00 -1.3183E+01 -1.2770E+01
HC            2552    1.008000    0.040000
 -9.5027E+00 -1.4797E+01 -1.3584E+01
CT            2553   12.011000    0.145000
 -1.5266E+01 -1.5102E+01  8.9516E+00
OH            2554   15.999000   -0.698000
 -1.4728E+01 -1.6101E+01  8.0883E+00
HO            2555    1.008000    0.433000
 -1.4119E+01 -1.5535E+01  7.5675E+00
HC            2556    1.008000    0.040000
 -1.6140E+01 -1.4772E+01  8.3954E+00
HC            2557    1.008000    0.040000
 -1.4559E+01 -1.4341E+01  9.2171E+00
HC            2558    1.008000    0.040000
 -1.5657E+01 -1.5612E+01  9.8606E+00
CT            2559   12.011000    0.145000
  1.6799E+01  1.6055E+01 -1.1384E+01
OH            2560   15.999000   -0.698000
 -1.8031E+01  1.6023E+01 -1.1541E+01
HO            2561    1.008000    0.433000
 -1.7878E+01  1.5615E+01 -1.2375E+01
HC            2562    1.008000    0.040000
  1.6410E+01  1.5185E+01 -1.1760E+01
HC            2563    1.008000    0.040000
  1.6397E+01  1.6851E+01 -1.1963E+01
HC            2564    1.008000    0.040000
  1.6497E+01  1.6266E+01 -1.0293E+01
CT            2565   12.011000    0.145000
 -9.0842E+00  3.4743E+00 -1.3423E+01
OH            2566   15.999000   -0.698000
 -1.0075E+01  3.0390E+00 -1.4315E+01
HO            2567    1.008000    0.433000
 -1.0829E+01  2.6428E+00 -1.3867E+01
HC            2568    1.008000    0.040000
 -8.6515E+00  2.5785E+00 -1.2995E+01
HC            2569    1.008000    0.040000
 -9.4825E+00  4.1324E+00 -1.2609E+01
HC            2570    1.008000    0.040000
 -8.3639E+00  4.0381E+00 -1.4064E+01
CT            2571   12.011000    0.145000
 -7.6905E+00  4.4603E+00 -2.2319E+00
OH            2572   15.999000   -0.698000
 -7.5184E+00  3.7944E+00 -1.0038E+00
HO            2573    1.008000    0.433000
 -7.7278E+00  2.8998E+00 -1.2434E+00
HC            2574    1.008000    0.040000
 -8.7158E+00  4.3758E+00 -2.5584E+00
HC            2575    1.008000    0.040000
 -7.1674E+00  3.8810E+00 -2.9302E+00
HC            2576    1.008000    0.040000
 -7.1990E+00  5.4498E+00 -2.4251E+00
CT            2577   12.011000    0.145000
 -4.0606E+00 -9.9369E+00 -3.1221E+00
OH            2578   15.999000   -0.698000
 -4.8951E+00 -9.7491E+00 -4.2345E+00
HO            2579    1.008000    0.433000
 -4.8395E+00 -8.8098E+00 -4.3300E+00
HC            2580    1.008000    0.040000
 -4.1166E+00 -1.0925E+01 -2.6438E+00
HC            2581    1.008000    0.040000
 -4.1285E+00 -9.1285E+00 -2.3903E+00
HC            2582    1.008000    0.040000
 -3.0318E+00 -9.8800E+00 -3.4306E+00
CT            2583   12.011000    0.145000
  3.0150E+00 -1.7658E+01 -8.3167E+00
OH            2584   15.999000   -0.698000
  1.7995E+00 -1.7999E+01 -8.7812E+00
HO            2585    1.008000    0.433000
  1.1923E+00 -1.7250E+01 -8.9436E+00
HC            2586    1.008000    0.040000
  3.5018E+00 -1.7038E+01 -9.0596E+00
HC            2587    1.008000    0.040000
  3.6832E+00  1.7730E+01 -8.1241E+00
HC            2588    1.008000    0.040000
  2.9209E+00 -1.7026E+01 -7.4324E+00
CT            2589   12.011000    0.145000
 -1.2834E+01 -8.6319E-01 -7.9521E+00
OH            2590   15.999000   -0.698000
 -1.2411E+01 -3.8863E-01 -9.2110E+00
HO            2591    1.008000    0.433000
 -1.2866E+01 -8.7472E-01 -9.8861E+00
HC            2592    1.008000    0.040000
 -1.3104E+01 -1.1214E-01 -7.1584E+00
HC            2593    1.008000    0.040000
 -1.1975E+01 -1.3787E+00 -7.6286E+00
HC            2594    1.008000    0.040000
 -1.3561E+01 -1.6512E+00 -8.0107E+00
CT            2595   12.011000    0.145000
  1.4362E+01 -8.0583E+00 -4.6453E+00
OH            2596   15.999000   -0.698000
  1.5387E+01 -9.0520E+00 -4.4654E+00
HO            2597    1.008000    0.433000
  1.4953E+01 -9.7900E+00 -4.1067E+00
HC            2598    1.008000    0.040000
  1.3392E+01 -8.6193E+00 -4.7764E+00
HC            2599    1.008000    0.040000
  1.4566E+01 -7.5083E+00 -5.5297E+00
HC            2600    1.008000    0.040000
  1.4257E+01 -7.4400E+00 -3.7478E+00
CT            2601   12.011000    0.145000
 -1.2597E+01  4.7610E+00 -1.6130E+01
OH            2602   15.999000   -0.698000
 -1.3692E+01  5.0057E+00 -1.6917E+01
HO            2603    1.008000    0.433000
 -1.4438E+01  4.8506E+00 -1.6335E+01
HC            2604    1.008000    0.040000
 -1.1659E+01  5.1707E+00 -1.6483E+01
HC            2605    1.008000    0.040000
 -1.2415E+01  3.7215E+00 -1.5992E+01
HC            2606    1.008000    0.040000
 -1.2684E+01  5.0264E+00 -1.5013E+01
CT            2607   12.011000    0.145000
 -5.3432E+00  3.1350E+00 -1.1739E+01
OH            2608   15.999000   -0.698000
 -4.2622E+00  2.5944E+00 -1.2427E+01
HO            2609    1.008000    0.433000
 -4.5128E+00  1.6768E+00 -1.2584E+01
HC            2610    1.008000    0.040000
 -5.2090E+00  4.1607E+00 -1.1754E+01
HC            2611    1.008000    0.040000
 -5.3104E+00  2.9699E+00 -1.0668E+01
HC            2612    1.008000    0.040000
 -6.2808E+00  2.9298E+00 -1.2174E+01
CT            2613   12.011000    0.145000
  9.0815E+00 -1.2526E+01 -1.7532E+01
OH            2614   15.999000   -0.698000
  1.0349E+01 -1.2703E+01 -1.6897E+01
HO            2615    1.008000    0.433000
  1.0232E+01 -1.2346E+01 -1.5960E+01
HC            2616    1.008000    0.040000
  9.2783E+00 -1.2482E+01  1.7667E+01
HC            2617    1.008000    0.040000
  8.6427E+00 -1.1518E+01 -1.7262E+01
HC            2618    1.008000    0.040000
  8.4886E+00 -1.3310E+01 -1.7282E+01
CT            2619   12.011000    0.145000
  8.4922E+00 -1.6026E+01  1.7489E+01
OH            2620   15.999000   -0.698000
  9.9064E+00 -1.6124E+01  1.7637E+01
HO            2621    1.008000    0.433000
  1.0128E+01 -1.7001E+01  1.8016E+01
HC            2622    1.008000    0.040000
  8.0131E+00 -1.6941E+01  1.7083E+01
HC            2623    1.008000    0.040000
  8.2161E+00 -1.5143E+01  1.7074E+01
HC            2624    1.008000    0.040000
  8.0235E+00 -1.5934E+01 -1.7766E+01
CT            2625   12.011000    0.145000
 -1.3824E+01 -1.6739E+01 -7.5925E+00
OH            2626   15.999000   -0.698000
 -1.5150E+01 -1.7007E+01 -8.0538E+00
HO            2627    1.008000    0.433000
 -1.5241E+01 -1.7972E+01 -8.3691E+00
HC            2628    1.008000    0.040000
 -1.3674E+01 -1.5759E+01 -7.1049E+00
HC            2629    1.008000    0.040000
 -1.3104E+01 -1.6754E+01 -8.3722E+00
HC            2630    1.008000    0.040000
 -1.3518E+01 -1.7445E+01 -6.8879E+00
CT            2631   12.011000    0.145000
 -1.0724E+01  1.7437E+01  1.2472E+01
OH            2632   15.999000   -0.698000
 -1.1126E+01 -1.7538E+01  1.2891E+01
HO            2633    1.008000    0.433000
 -1.0347E+01 -1.7047E+01  1.2697E+01
HC            2634    1.008000    0.040000
 -9.7773E+00  1.7223E+01  1.2893E+01
HC            2635    1.008000    0.040000
 -1.0717E+01  1.7452E+01  1.1378E+01
HC            2636    1.008000    0.040000
 -1.1501E+01  1.6799E+01  1.2822E+01
CT            2637   12.011000    0.145000
  6.1499E+00 -1.2120E+00 -2.3701E+00
OH            2638   15.999000   -0.698000
  5.4756E+00 -7.8216E-02 -1.7631E+00
HO            2639    1.008000    0.433000
  5.8763E+00  1.5894E-01 -9.4307E-01
HC            2640    1.008000    0.040000
  5.7666E+00 -2.1952E+00 -1.9128E+00
HC            2641    1.008000    0.040000
  7.1942E+00 -1.1653E+00 -2.1525E+00
HC            2642    1.008000    0.040000
  6.0616E+00 -1.2523E+00 -3.4632E+00
CT            2643   12.011000    0.145000
  1.0693E+00 -1.6393E+01  1.1421E+01
OH            2644   15.999000   -0.698000
  6.7076E-01 -1.5209E+01  1.1988E+01
HO            2645    1.008000    0.433000
  6.8288E-01 -1.5413E+01  1.2909E+01
HC            2646    1.008000    0.040000
  1.9580E+00 -1.6751E+01  1.1914E+01
HC            2647    1.008000    0.040000
  1.3575E+00 -1.6401E+01  1.0354E+01
HC            2648    1.008000    0.040000
  2.6114E-01 -1.7061E+01  1.1603E+01
CT            2649   12.011000    0.145000
 -1.2284E+01  9.5377E-01  1.6060E+01
OH            2650   15.999000   -0.698000
 -1.1521E+01 -2.1179E-01  1.6526E+01
HO            2651    1.008000    0.433000
 -1.1377E+01 -7.9628E-01  1.5791E+01
HC            2652    1.008000    0.040000
 -1.2330E+01  1.6322E+00  1.6845E+01
HC            2653    1.008000    0.040000
 -1.3279E+01  5.6026E-01  1.5909E+01
HC            2654    1.008000    0.040000
 -1.1833E+01  1.3178E+00  1.5131E+01
CT            2655   12.011000    0.145000
 -1.2628E+01 -1.2711E+01  1.0100E+01
OH            2656   15.999000   -0.698000
 -1.1815E+01 -1.1578E+01  1.0334E+01
HO            2657    1.008000    0.433000
 -1.1594E+01 -1.1641E+01  1.1298E+01
HC            2658    1.008000    0.040000
 -1.3194E+01 -1.2638E+01  9.1667E+00
HC            2659    1.008000    0.040000
 -1.3237E+01 -1.2835E+01  1.1035E+01
HC            2660    1.008000    0.040000
 -1.1917E+01 -1.3567E+01  1.0148E+01
CT            2661   12.011000    0.145000
  1.4159E+01 -2.8023E+00  1.4643E+01
OH            2662   15.999000   -0.698000
  1.3384E+01 -3.7875E+00  1.3895E+01
HO            2663    1.008000    0.433000
  1.2622E+01 -3.2922E+00  1.3560E+01
HC            2664    1.008000    0.040000
  1.4933E+01 -3.2426E+00  1.5200E+01
HC            2665    1.008000    0.040000
  1.3460E+01 -2.3085E+00  1.5308E+01
HC            2666    1.008000    0.040000
  1.4450E+01 -2.0292E+00  1.3868E+01
CT            2667   12.011000    0.145000
 -1.8081E+01  7.1018E+00  4.5962E+00
OH            2668   15.999000   -0.698000
 -1.7299E+01  6.7705E+00  3.4912E+00
HO            2669    1.008000    0.433000
 -1.7890E+01  6.9454E+00  2.7321E+00
HC            2670    1.008000    0.040000
  1.7194E+01  6.7237E+00  4.5259E+00
HC            2671    1.008000    0.040000
 -1.8050E+01  8.1466E+00  4.7527E+00
HC            2672    1.008000    0.040000
 -1.7556E+01  6.7101E+00  5.4895E+00
CT            2673   12.011000    0.145000
  1.3817E+01  1.6680E+01 -1.4489E+01
OH            2674   15.999000   -0.698000
  1.4220E+01  1.5369E+01 -1.4213E+01
HO            2675    1.008000    0.433000
  1.3866E+01  1.5165E+01 -1.3352E+01
HC            2676    1.008000    0.040000
  1.4580E+01  1.7394E+01 -1.4043E+01
HC            2677    1.008000    0.040000
  1.2861E+01  1.6864E+01 -1.3950E+01
HC            2678    1.008000    0.040000
  1.3703E+01  1.6967E+01 -1.5593E+01
CT            2679   12.011000    0.145000
 -1.6382E+01 -1.6868E+01  8.9090E-01
OH            2680   15.999000   -0.698000
 -1.6416E+01 -1.6918E+01 -5.4095E-01
HO            2681    1.008000    0.433000
 -1.6368E+01 -1.7910E+01 -6.8594E-01
HC            2682    1.008000    0.040000
 -1.5302E+01 -1.6985E+01  1.1520E+00
HC            2683    1.008000    0.040000
 -1.7084E+01 -1.7593E+01  1.4010E+00
HC            2684    1.008000    0.040000
 -1.6677E+01 -1.5850E+01  1.0797E+00
CT            2685   12.011000    0.145000
  1.3958E+01  1.7595E+01  9.5379E-02
OH            2686   15.999000   -0.698000
  1.4871E+01  1.6593E+01 -1.7597E-01
HO            2687    1.008000    0.433000
  1.5671E+01  1.6984E+01 -5.5261E-01
HC            2688    1.008000    0.040000
  1.3617E+01  1.7452E+01  1.1143E+00
HC            2689    1.008000    0.040000
  1.3111E+01  1.7433E+01 -5.6728E-01
HC            2690    1.008000    0.040000
  1.4337E+01 -1.7595E+01  1.4499E-02
CT            2691   12.011000    0.145000
 -1.5356E+01 -5.4799E+00  1.7503E+01
OH            2692   15.999000   -0.698000
 -1.5661E+01 -4.3094E+00 -1.8044E+01
HO            2693    1.008000    0.433000
 -1.6622E+01 -4.3866E+00 -1.8109E+01
HC            2694    1.008000    0.040000
 -1.4365E+01 -5.4438E+00  1.7175E+01
HC            2695    1.008000    0.040000
 -1.5936E+01 -5.6371E+00  1.6621E+01
HC            2696    1.008000    0.040000
 -1.5431E+01 -6.3312E+00 -1.8046E+01
CT            2697   12.011000    0.145000
  1.1758E-01  4.9859E+00 -1.0974E+00
OH            2698   15.999000   -0.698000
  4.0779E-01  4.3762E+00  1.4573E-01
HO            2699    1.008000    0.433000
 -5.7000E-02  3.5184E+00  1.5168E-01
HC            2700    1.008000    0.040000
 -9.1236E-01  4.9480E+00 -1.3583E+00
HC            2701    1.008000    0.040000
  7.0457E-01  4.7129E+00 -1.9856E+00
HC            2702    1.008000    0.040000
  3.3717E-01  6.0719E+00 -9.4346E-01
CT            2703   12.011000    0.145000
 -1.7257E+01 -8.3270E+00 -1.5078E+01
OH            2704   15.999000   -0.698000
 -1.6831E+01 -7.4385E+00 -1.6142E+01
HO            2705    1.008000    0.433000
 -1.5904E+01 -7.1919E+00 -1.5961E+01
HC            2706    1.008000    0.040000
 -1.7513E+01 -7.8863E+00 -1.4135E+01
HC            2707    1.008000    0.040000
 -1.6576E+01 -9.1718E+00 -1.5122E+01
HC            2708    1.008000    0.040000
  1.7971E+01 -8.6754E+00 -1.5369E+01
CT            2709   12.011000    0.145000
  1.4081E+01 -7.3243E+00 -1.3532E+01
OH            2710   15.999000   -0.698000
  1.3485E+01 -6.2010E+00 -1.4238E+01
HO            2711    1.008000    0.433000
  1.2840E+01 -6.6439E+00 -1.4770E+01
HC            2712    1.008000    0.040000
  1.4670E+01 -6.9355E+00 -1.2713E+01
HC            2713    1.008000    0.040000
  1.4539E+01 -7.8145E+00 -1.4316E+01
HC            2714    1.008000    0.040000
  1.3346E+01 -7.9915E+00 -1.3185E+01
CT            2715   12.011000    0.145000
 -2.4715E-01  4.6276E+00  4.7045E+00
OH            2716   15.999000   -0.698000
 -1.4168E+00  3.9585E+00  4.9615E+00
HO            2717    1.008000    0.433000
 -1.2634E+00  3.0645E+00  4.7031E+00
HC            2718    1.008000    0.040000
  3.9972E-01  4.3718E+00  5.5700E+00
HC            2719    1.008000    0.040000
 -2.5057E-01  5.7122E+00  4.7115E+00
HC            2720    1.008000    0.040000
  1.8312E-01  4.3058E+00  3.7907E+00
CT            2721   12.011000    0.145000
 -7.8338E+00  5.9350E+00 -1.6835E+01
OH            2722   15.999000   -0.698000
 -8.0739E+00  7.2295E+00 -1.6428E+01
HO            2723    1.008000    0.433000
 -7.2576E+00  7.5729E+00 -1.5981E+01
HC            2724    1.008000    0.040000
 -7.1811E+00  5.8975E+00 -1.7692E+01
HC            2725    1.008000    0.040000
 -8.6917E+00  5.2731E+00 -1.7081E+01
HC            2726    1.008000    0.040000
 -7.1477E+00  5.3933E+00 -1.6087E+01
CT            2727   12.011000    0.145000
 -1.4788E+01  9.4882E+00  3.9263E+00
OH            2728   15.999000   -0.698000
 -1.4803E+01  8.9614E+00  5.3243E+00
HO            2729    1.008000    0.433000
 -1.4583E+01  8.0729E+00  5.2671E+00
HC            2730    1.008000    0.040000
 -1.5007E+01  1.0548E+01  3.9711E+00
HC            2731    1.008000    0.040000
 -1.5644E+01  9.1123E+00  3.3518E+00
HC            2732    1.008000    0.040000
 -1.3860E+01  9.4049E+00  3.3225E+00
CT            2733   12.011000    0.145000
 -1.7164E+01 -1.2345E+01  1.5728E+01
OH            2734   15.999000   -0.698000
  1.8109E+01 -1.3009E+01  1.6470E+01
HO            2735    1.008000    0.433000
 -1.7761E+01 -1.3802E+01  1.6807E+01
HC            2736    1.008000    0.040000
 -1.6669E+01 -1.1634E+01  1.6434E+01
HC            2737    1.008000    0.040000
 -1.7771E+01 -1.1857E+01  1.4897E+01
HC            2738    1.008000    0.040000
 -1.6401E+01 -1.3066E+01  1.5440E+01
CT            2739   12.011000    0.145000
 -1.0224E+00  7.3019E+00 -1.1429E+01
OH            2740   15.999000   -0.698000
 -1.5961E+00  6.4771E+00 -1.2483E+01
HO            2741    1.008000    0.433000
 -1.7808E+00  7.0937E+00 -1.3187E+01
HC            2742    1.008000    0.040000
 -6.9138E-01  6.8959E+00 -1.0425E+01
HC            2743    1.008000    0.040000
 -1.8897E+00  7.9730E+00 -1.1341E+01
HC            2744    1.008000    0.040000
 -2.9412E-01  7.9414E+00 -1.1870E+01
CT            2745   12.011000    0.145000
  1.6436E+01  7.0138E+00  1.3120E+00
OH            2746   15.999000   -0.698000
  1.7613E+01  7.8308E+00  1.3531E+00
HO            2747    1.008000    0.433000
  1.7409E+01  8.7276E+00  1.2783E+00
HC            2748    1.008000    0.040000
  1.6610E+01  6.0232E+00  1.6846E+00
HC            2749    1.008000    0.040000
  1.6153E+01  6.8390E+00  2.8240E-01
HC            2750    1.008000    0.040000
  1.5689E+01  7.5099E+00  1.9084E+00
CT            2751   12.011000    0.145000
  2.2019E+00  3.0530E+00 -1.2253E+01
OH            2752   15.999000   -0.698000
  1.2293E+00  4.0156E+00 -1.1811E+01
HO            2753    1.008000    0.433000
  5.2363E-01  4.0109E+00 -1.2528E+01
HC            2754    1.008000    0.040000
  2.8914E+00  2.7528E+00 -1.1448E+01
HC            2755    1.008000    0.040000
  2.8341E+00  3.5616E+00 -1.3007E+01
HC            2756    1.008000    0.040000
  1.6781E+00  2.1693E+00 -1.2589E+01
CT            2757   12.011000    0.145000
 -3.0778E+00  1.4799E+01 -4.0343E+00
OH            2758   15.999000   -0.698000
 -4.1859E+00  1.4250E+01 -3.4024E+00
HO            2759    1.008000    0.433000
 -4.1627E+00  1.3282E+01 -3.6329E+00
HC            2760    1.008000    0.040000
 -3.3015E+00  1.5085E+01 -5.0461E+00
HC            2761    1.008000    0.040000
 -2.2058E+00  1.4163E+01 -4.0296E+00
HC            2762    1.008000    0.040000
 -2.6905E+00  1.5775E+01 -3.5568E+00
CT            2763   12.011000    0.145000
 -2.5605E+00  1.1354E+01 -6.5233E+00
OH            2764   15.999000   -0.698000
 -1.9467E+00  1.1188E+01 -5.2491E+00
HO            2765    1.008000    0.433000
 -1.3914E+00  1.0381E+01 -5.2400E+00
HC            2766    1.008000    0.040000
 -1.9753E+00  1.1933E+01 -7.1320E+00
HC            2767    1.008000    0.040000
 -3.4766E+00  1.1892E+01 -6.3576E+00
HC            2768    1.008000    0.040000
 -2.8815E+00  1.0408E+01 -7.0614E+00
CT            2769   12.011000    0.145000
 -4.1480E+00 -3.9134E+00  6.4426E+00
OH            2770   15.999000   -0.698000
 -4.7956E+00 -2.9384E+00  7.2267E+00
HO            2771    1.008000    0.433000
 -4.8621E+00 -2.2143E+00  6.6149E+00
HC            2772    1.008000    0.040000
 -3.7922E+00 -4.7665E+00  7.0123E+00
HC            2773    1.008000    0.040000
 -3.2596E+00 -3.5120E+00  6.0591E+00
HC            2774    1.008000    0.040000
 -4.7331E+00 -4.2225E+00  5.6227E+00
CT            2775   12.011000    0.145000
 -4.4032E+00  3.4188E+00  1.0624E+01
OH            2776   15.999000   -0.698000
 -5.6042E+00  2.6159E+00  1.0568E+01
HO            2777    1.008000    0.433000
 -6.2002E+00  2.8427E+00  9.8652E+00
HC            2778    1.008000    0.040000
 -4.7035E+00  4.4163E+00  1.0534E+01
HC            2779    1.008000    0.040000
 -3.7373E+00  3.0576E+00  9.7538E+00
HC            2780    1.008000    0.040000
 -3.7785E+00  3.3430E+00  1.1480E+01
CT            2781   12.011000    0.145000
  1.0620E+01 -9.7567E+00  1.6941E+01
OH            2782   15.999000   -0.698000
  1.1755E+01 -9.9602E+00  1.7721E+01
HO            2783    1.008000    0.433000
  1.1829E+01 -9.3034E+00 -1.7825E+01
HC            2784    1.008000    0.040000
  1.0490E+01 -8.6755E+00  1.6732E+01
HC            2785    1.008000    0.040000
  9.7918E+00 -1.0091E+01  1.7439E+01
HC            2786    1.008000    0.040000
  1.0717E+01 -1.0180E+01  1.5914E+01
CT            2787   12.011000    0.145000
 -1.7075E+01 -7.4044E-01 -1.8493E+00
OH            2788   15.999000   -0.698000
 -1.7940E+01 -1.3392E+00 -2.8177E+00
HO            2789    1.008000    0.433000
  1.7343E+01 -1.4015E+00 -2.5355E+00
HC            2790    1.008000    0.040000
 -1.7643E+01  3.7015E-02 -1.2943E+00
HC            2791    1.008000    0.040000
 -1.6242E+01 -2.0958E-01 -2.3167E+00
HC            2792    1.008000    0.040000
 -1.6645E+01 -1.5588E+00 -1.2073E+00
CT            2793   12.011000    0.145000
 -1.1038E+01 -1.1848E+01 -1.5569E+01
OH            2794   15.999000   -0.698000
 -1.1388E+01 -1.2048E+01 -1.4228E+01
HO            2795    1.008000    0.433000
 -1.2053E+01 -1.2700E+01 -1.4234E+01
HC            2796    1.008000    0.040000
 -1.1982E+01 -1.1855E+01 -1.6223E+01
HC            2797    1.008000    0.040000
 -1.0335E+01 -1.2602E+01 -1.6031E+01
HC            2798    1.008000    0.040000
 -1.0633E+01 -1.0912E+01 -1.5871E+01
CT            2799   12.011000    0.145000
 -5.0555E+00  8.4996E+00  3.3507E+00
OH            2800   15.999000   -0.698000
 -5.8005E+00  9.5834E+00  3.9727E+00
HO            2801    1.008000    0.433000
 -5.9894E+00  9.2683E+00  4.8526E+00
HC            2802    1.008000    0.040000
 -5.1251E+00  8.7201E+00  2.3119E+00
HC            2803    1.008000    0.040000
 -5.5175E+00  7.5399E+00  3.5494E+00
HC            2804    1.008000    0.040000
 -4.0776E+00  8.6237E+00  3.7541E+00
CT            2805   12.011000    0.145000
  1.6933E+01 -6.3043E+00  3.1131E+00
OH            2806   15.999000   -0.698000
  1.5579E+01 -6.0040E+00  2.9016E+00
HO            2807    1.008000    0.433000
  1.5119E+01 -6.8438E+00  2.7743E+00
HC            2808    1.008000    0.040000
  1.7354E+01 -7.0649E+00  2.4258E+00
HC            2809    1.008000    0.040000
  1.7094E+01 -6.7308E+00  4.0824E+00
HC            2810    1.008000    0.040000
  1.7433E+01 -5.3794E+00  2.9919E+00
CT            2811   12.011000    0.145000
 -1.1759E+01  7.6922E-01  7.1711E+00
OH            2812   15.999000   -0.698000
 -1.1630E+01 -5.0981E-01  6.5247E+00
HO            2813    1.008000    0.433000
 -1.0864E+01 -8.8592E-01  6.8531E+00
HC            2814    1.008000    0.040000
 -1.1768E+01  6.2334E-01  8.2868E+00
HC            2815    1.008000    0.040000
 -1.2767E+01  1.1220E+00  6.9112E+00
HC            2816    1.008000    0.040000
 -1.0986E+01  1.4685E+00  6.8167E+00
CT            2817   12.011000    0.145000
 -1.2626E+01  3.3805E+00  1.0056E+01
OH            2818   15.999000   -0.698000
 -1.1437E+01  3.6186E+00  1.0805E+01
HO            2819    1.008000    0.433000
 -1.1761E+01  3.4565E+00  1.1647E+01
HC            2820    1.008000    0.040000
 -1.2897E+01  2.3227E+00  1.0063E+01
HC            2821    1.008000    0.040000
 -1.2572E+01  3.5414E+00  8.9793E+00
HC            2822    1.008000    0.040000
 -1.3429E+01  3.9069E+00  1.0511E+01
CT            2823   12.011000    0.145000
 -8.0911E+00  9.5354E+00  1.0565E+00
OH            2824   15.999000   -0.698000
 -7.7484E+00  1.0642E+01  1.8720E+00
HO            2825    1.008000    0.433000
 -7.0516E+00  1.0298E+01  2.4726E+00
HC            2826    1.008000    0.040000
 -8.4525E+00  8.7198E+00  1.6686E+00
HC            2827    1.008000    0.040000
 -7.1805E+00  9.2583E+00  5.2761E-01
HC            2828    1.008000    0.040000
 -8.8275E+00  9.7805E+00  2.9443E-01
CT            2829   12.011000    0.145000
 -8.1354E+00 -1.8486E+00  7.2378E+00
OH            2830   15.999000   -0.698000
 -9.0437E+00 -1.5367E+00  8.2591E+00
HO            2831    1.008000    0.433000
 -9.3883E+00 -2.3323E+00  8.4918E+00
HC            2832    1.008000    0.040000
 -7.5118E+00 -2.6961E+00  7.6091E+00
HC            2833    1.008000    0.040000
 -7.4105E+00 -1.1597E+00  6.9366E+00
HC            2834    1.008000    0.040000
 -8.6332E+00 -2.1939E+00  6.3350E+00
CT            2835   12.011000    0.145000
 -1.6298E+01  1.0569E+01  8.0133E-01
OH            2836   15.999000   -0.698000
 -1.6838E+01  1.1761E+01  1.3609E+00
HO            2837    1.008000    0.433000
 -1.7778E+01  1.1695E+01  1.3835E+00
HC            2838    1.008000    0.040000
 -1.5218E+01  1.0499E+01  6.8131E-01
HC            2839    1.008000    0.040000
 -1.6717E+01  1.0383E+01 -1.6463E-01
HC            2840    1.008000    0.040000
 -1.6516E+01  9.7153E+00  1.4035E+00
CT            2841   12.011000    0.145000
 -2.5866E+00 -1.2020E+01 -1.5162E+01
OH            2842   15.999000   -0.698000
 -3.6819E+00 -1.1237E+01 -1.4704E+01
HO            2843    1.008000    0.433000
 -3.6145E+00 -1.1018E+01 -1.3740E+01
HC            2844    1.008000    0.040000
 -1.8061E+00 -1.1465E+01 -1.5660E+01
HC            2845    1.008000    0.040000
 -2.9667E+00 -1.2873E+01 -1.5788E+01
HC            2846    1.008000    0.040000
 -2.0663E+00 -1.2659E+01 -1.4421E+01
CT            2847   12.011000    0.145000
 -5.2398E+00 -1.3809E+01  1.1998E+01
OH            2848   15.999000   -0.698000
 -5.6389E+00 -1.4060E+01  1.0690E+01
HO            2849    1.008000    0.433000
 -5.2246E+00 -1.4901E+01  1.0495E+01
HC            2850    1.008000    0.040000
 -4.1640E+00 -1.3971E+01  1.1997E+01
HC            2851    1.008000    0.040000
 -5.6708E+00 -1.4604E+01  1.2742E+01
HC            2852    1.008000    0.040000
 -5.3635E+00 -1.2818E+01  1.2308E+01
CT            2853   12.011000    0.145000
  1.1771E+00 -4.7883E+00 -8.3292E+00
OH            2854   15.999000   -0.698000
  1.5031E+00 -5.8532E+00 -9.1090E+00
HO            2855    1.008000    0.433000
  2.4225E+00 -6.1614E+00 -8.9592E+00
HC            2856    1.008000    0.040000
  1.3889E-01 -4.4836E+00 -8.5640E+00
HC            2857    1.008000    0.040000
  1.9000E+00 -3.9698E+00 -8.4911E+00
HC            2858    1.008000    0.040000
  1.1523E+00 -4.9911E+00 -7.2496E+00
CT            2859   12.011000    0.145000
  1.3387E+01 -1.1824E+00  8.3154E+00
OH            2860   15.999000   -0.698000
  1.3164E+01 -7.3656E-01  6.9507E+00
HO            2861    1.008000    0.433000
  1.3951E+01 -2.5431E-01  6.8020E+00
HC            2862    1.008000    0.040000
  1.2666E+01 -2.0420E+00  8.4897E+00
HC            2863    1.008000    0.040000
  1.3113E+01 -2.8506E-01  8.7643E+00
HC            2864    1.008000    0.040000
  1.4387E+01 -1.4329E+00  8.4825E+00
CT            2865   12.011000    0.145000
 -1.4887E+01 -8.1174E-01  4.9930E+00
OH            2866   15.999000   -0.698000
 -1.3671E+01 -4.0482E-01  4.3514E+00
HO            2867    1.008000    0.433000
 -1.2928E+01 -4.1778E-01  5.0128E+00
HC            2868    1.008000    0.040000
 -1.5239E+01 -1.2973E-01  5.7450E+00
HC            2869    1.008000    0.040000
 -1.4677E+01 -1.8110E+00  5.4308E+00
HC            2870    1.008000    0.040000
 -1.5601E+01 -1.0172E+00  4.2078E+00
CT            2871   12.011000    0.145000
 -1.1364E+01  1.2490E+01 -2.0569E+00
OH            2872   15.999000   -0.698000
 -1.1739E+01  1.1861E+01 -3.2803E+00
HO            2873    1.008000    0.433000
 -1.2546E+01  1.1367E+01 -3.2326E+00
HC            2874    1.008000    0.040000
 -1.0278E+01  1.2650E+01 -2.0650E+00
HC            2875    1.008000    0.040000
 -1.1779E+01  1.2146E+01 -1.1210E+00
HC            2876    1.008000    0.040000
 -1.1689E+01  1.3521E+01 -1.9981E+00
CT            2877   12.011000    0.145000
  1.5091E+01  1.1641E+01  1.3832E+01
OH            2878   15.999000   -0.698000
  1.4642E+01  1.3001E+01  1.3999E+01
HO            2879    1.008000    0.433000
  1.4935E+01  1.3212E+01  1.4902E+01
HC            2880    1.008000    0.040000
  1.5970E+01  1.1421E+01  1.4484E+01
HC            2881    1.008000    0.040000
  1.5531E+01  1.1551E+01  1.2875E+01
HC            2882    1.008000    0.040000
  1.4315E+01  1.0871E+01  1.3929E+01
CT            2883   12.011000    0.145000
  7.9064E+00  1.4415E+01  1.2421E+01
OH            2884   15.999000   -0.698000
  6.8127E+00  1.5199E+01  1.2860E+01
HO            2885    1.008000    0.433000
  6.8249E+00  1.5178E+01  1.3852E+01
HC            2886    1.008000    0.040000
  8.7996E+00  1.4547E+01  1.2956E+01
HC            2887    1.008000    0.040000
  8.1456E+00  1.4493E+01  1.1386E+01
HC            2888    1.008000    0.040000
  7.7120E+00  1.3384E+01  1.2527E+01
CT            2889   12.011000    0.145000
 -5.2362E-01 -8.0370E+00 -3.8643E+00
OH            2890   15.999000   -0.698000
 -9.1471E-01 -7.7276E+00 -2.5764E+00
HO            2891    1.008000    0.433000
 -2.2883E-01 -7.9039E+00 -1.9946E+00
HC            2892    1.008000    0.040000
  3.5973E-02 -8.9567E+00 -3.8978E+00
HC            2893    1.008000    0.040000
  3.1729E-02 -7.3122E+00 -4.4166E+00
HC            2894    1.008000    0.040000
 -1.4007E+00 -8.3450E+00 -4.4453E+00
CT            2895   12.011000    0.145000
  1.8000E+00  5.4580E+00  1.0581E+01
OH            2896   15.999000   -0.698000
  2.5798E+00  5.9745E+00  1.1621E+01
HO            2897    1.008000    0.433000
  3.0943E+00  5.2576E+00  1.1978E+01
HC            2898    1.008000    0.040000
  1.2364E+00  4.6208E+00  1.1017E+01
HC            2899    1.008000    0.040000
  2.2979E+00  5.0695E+00  9.6869E+00
HC            2900    1.008000    0.040000
  1.0714E+00  6.2172E+00  1.0198E+01
CT            2901   12.011000    0.145000
 -1.2597E+01 -6.4215E-01 -1.6375E+01
OH            2902   15.999000   -0.698000
 -1.1741E+01 -1.5445E+00 -1.5718E+01
HO            2903    1.008000    0.433000
 -1.1276E+01 -1.9193E+00 -1.6436E+01
HC            2904    1.008000    0.040000
 -1.3236E+01 -1.6155E-01 -1.5632E+01
HC            2905    1.008000    0.040000
 -1.3138E+01 -1.1126E+00 -1.7198E+01
HC            2906    1.008000    0.040000
 -1.1894E+01  4.6076E-03 -1.6790E+01
CT            2907   12.011000    0.145000
  1.3483E+01  1.3122E+01 -8.5669E+00
OH            2908   15.999000   -0.698000
  1.2793E+01  1.4326E+01 -8.7099E+00
HO            2909    1.008000    0.433000
  1.3010E+01  1.4733E+01 -9.5735E+00
HC            2910    1.008000    0.040000
  1.3653E+01  1.2716E+01 -9.5629E+00
HC            2911    1.008000    0.040000
  1.2936E+01  1.2382E+01 -7.9743E+00
HC            2912    1.008000    0.040000
  1.4461E+01  1.3317E+01 -8.2091E+00
CT            2913   12.011000    0.145000
  5.9628E+00 -7.5985E+00 -1.5345E+01
OH            2914   15.999000   -0.698000
  4.9833E+00 -6.7699E+00 -1.5839E+01
HO            2915    1.008000    0.433000
  4.8852E+00 -6.9124E+00 -1.6803E+01
HC            2916    1.008000    0.040000
  5.5583E+00 -8.6197E+00 -1.5341E+01
HC            2917    1.008000    0.040000
  6.2421E+00 -7.3759E+00 -1.4315E+01
HC            2918    1.008000    0.040000
  6.8471E+00 -7.5003E+00 -1.5972E+01
CT            2919   12.011000    0.145000
 -1.7776E+01  5.0997E+00  1.6002E+01
OH            2920   15.999000   -0.698000
 -1.7586E+01  4.4246E+00  1.7241E+01
HO            2921    1.008000    0.433000
  1.7792E+01  4.1197E+00  1.7423E+01
HC            2922    1.008000    0.040000
 -1.8048E+01  4.4354E+00  1.5136E+01
HC            2923    1.008000    0.040000
 -1.6792E+01  5.4992E+00  1.5741E+01
HC            2924    1.008000    0.040000
  1.7856E+01  6.0246E+00  1.6132E+01
CT            2925   12.011000    0.145000
 -8.7959E+00 -5.6985E+00  7.6614E+00
OH            2926   15.999000   -0.698000
 -1.0155E+01 -5.4401E+00  7.3938E+00
HO            2927    1.008000    0.433000
 -1.0159E+01 -5.2515E+00  6.4707E+00
HC            2928    1.008000    0.040000
 -8.1465E+00 -4.8624E+00  7.4934E+00
HC            2929    1.008000    0.040000
 -8.4351E+00 -6.4949E+00  6.9730E+00
HC            2930    1.008000    0.040000
 -8.7198E+00 -5.9201E+00  8.7189E+00
CT            2931   12.011000    0.145000
 -1.7849E+01 -4.4768E+00 -1.2447E+01
OH            2932   15.999000   -0.698000
 -1.7429E+01 -3.5090E+00 -1.3390E+01
HO            2933    1.008000    0.433000
 -1.6874E+01 -3.9329E+00 -1.4020E+01
HC            2934    1.008000    0.040000
  1.7273E+01 -4.6174E+00 -1.2451E+01
HC            2935    1.008000    0.040000
 -1.7488E+01 -4.2093E+00 -1.1508E+01
HC            2936    1.008000    0.040000
 -1.7404E+01 -5.4109E+00 -1.2624E+01
CT            2937   12.011000    0.145000
  2.0677E+00 -8.1662E+00  1.2489E-01
OH            2938   15.999000   -0.698000
  1.5601E+00 -8.6149E+00 -1.1518E+00
HO            2939    1.008000    0.433000
  2.0204E+00 -9.4887E+00 -1.3185E+00
HC            2940    1.008000    0.040000
  2.3126E+00 -7.0944E+00  4.6575E-02
HC            2941    1.008000    0.040000
  2.9241E+00 -8.7454E+00  5.8156E-01
HC            2942    1.008000    0.040000
  1.3024E+00 -8.2305E+00  8.8797E-01
CT            2943   12.011000    0.145000
 -7.9134E+00  1.1049E+01 -1.7770E+01
OH            2944   15.999000   -0.698000
 -8.9616E+00  1.1165E+01 -1.6869E+01
HO            2945    1.008000    0.433000
 -9.5670E+00  1.1832E+01 -1.7069E+01
HC            2946    1.008000    0.040000
 -7.4130E+00  1.0093E+01 -1.7612E+01
HC            2947    1.008000    0.040000
 -7.2597E+00  1.1866E+01 -1.7653E+01
HC            2948    1.008000    0.040000
 -8.4075E+00  1.0879E+01  1.7521E+01
CT            2949   12.011000    0.145000
  1.4858E+00 -1.0504E+01  7.7336E+00
OH            2950   15.999000   -0.698000
  6.2362E-01 -1.1671E+01  7.7818E+00
HO            2951    1.008000    0.433000
  8.0363E-01 -1.2162E+01  8.6171E+00
HC            2952    1.008000    0.040000
  1.5276E+00 -1.0067E+01  6.7701E+00
HC            2953    1.008000    0.040000
  2.4431E+00 -1.0788E+01  8.1851E+00
HC            2954    1.008000    0.040000
  1.0580E+00 -9.8288E+00  8.4151E+00
CT            2955   12.011000    0.145000
  9.4796E+00  1.2336E+01 -8.4584E+00
OH            2956   15.999000   -0.698000
  8.9944E+00  1.1724E+01 -9.5814E+00
HO            2957    1.008000    0.433000
  8.0930E+00  1.1907E+01 -9.5869E+00
HC            2958    1.008000    0.040000
  8.6900E+00  1.2227E+01 -7.6752E+00
HC            2959    1.008000    0.040000
  9.5943E+00  1.3394E+01 -8.6925E+00
HC            2960    1.008000    0.040000
  1.0408E+01  1.1950E+01 -8.0372E+00
CT            2961   12.011000    0.145000
 -1.4292E+01  1.1958E+01  1.2836E+01
OH            2962   15.999000   -0.698000
 -1.4879E+01  1.1267E+01  1.1770E+01
HO            2963    1.008000    0.433000
 -1.4802E+01  1.1855E+01  1.1007E+01
HC            2964    1.008000    0.040000
 -1.3438E+01  1.2515E+01  1.2555E+01
HC            2965    1.008000    0.040000
 -1.4168E+01  1.1328E+01  1.3751E+01
HC            2966    1.008000    0.040000
 -1.5071E+01  1.2616E+01  1.3219E+01
CT            2967   12.011000    0.145000
 -1.7486E+01  8.1362E+00  1.1268E+01
OH            2968   15.999000   -0.698000
 -1.7969E+01  9.4769E+00  1.1227E+01
HO            2969    1.008000    0.433000
 -1.7224E+01  1.0015E+01  1.1607E+01
HC            2970    1.008000    0.040000
 -1.7488E+01  7.7258E+00  1.2332E+01
HC            2971    1.008000    0.040000
 -1.6464E+01  8.0571E+00  1.0887E+01
HC            2972    1.008000    0.040000
  1.8115E+01  7.5850E+00  1.0608E+01
CT            2973   12.011000    0.145000
 -6.4507E+00 -1.2726E+01 -4.2063E+00
OH            2974   15.999000   -0.698000
 -6.5118E+00 -1.1534E+01 -4.9578E+00
HO            2975    1.008000    0.433000
 -5.8543E+00 -1.0900E+01 -4.5927E+00
HC            2976    1.008000    0.040000
 -5.4264E+00 -1.2840E+01 -3.9134E+00
HC            2977    1.008000    0.040000
 -6.6545E+00 -1.3597E+01 -4.8523E+00
HC            2978    1.008000    0.040000
 -7.1954E+00 -1.2664E+01 -3.2767E+00
CT            2979   12.011000    0.145000
  1.1969E-01 -1.1492E+01  3.0374E+00
OH            2980   15.999000   -0.698000
  3.4192E-01 -1.0096E+01  2.8894E+00
HO            2981    1.008000    0.433000
 -3.9118E-01 -9.6438E+00  3.4010E+00
HC            2982    1.008000    0.040000
  9.7662E-02 -1.1875E+01  4.0754E+00
HC            2983    1.008000    0.040000
  8.4927E-01 -1.2181E+01  2.5366E+00
HC            2984    1.008000    0.040000
 -8.6731E-01 -1.1707E+01  2.6196E+00
CT            2985   12.011000    0.145000
 -4.0731E-01 -5.3182E+00  7.3397E+00
OH            2986   15.999000   -0.698000
 -4.2336E-01 -4.5123E+00  6.1713E+00
HO            2987    1.008000    0.433000
  2.4805E-01 -4.9882E+00  5.6607E+00
HC            2988    1.008000    0.040000
 -1.3427E+00 -5.0719E+00  7.9083E+00
HC            2989    1.008000    0.040000
  4.5855E-01 -5.1872E+00  7.9988E+00
HC            2990    1.008000    0.040000
 -4.9121E-01 -6.4211E+00  7.1271E+00
CT            2991   12.011000    0.145000
  1.2627E+01 -5.2444E+00  9.7118E+00
OH            2992   15.999000   -0.698000
  1.3697E+01 -4.4746E+00  1.0149E+01
HO            2993    1.008000    0.433000
  1.3801E+01 -4.4990E+00  1.1139E+01
HC            2994    1.008000    0.040000
  1.2528E+01 -6.1425E+00  1.0320E+01
HC            2995    1.008000    0.040000
  1.2841E+01 -5.5358E+00  8.7046E+00
HC            2996    1.008000    0.040000
  1.1715E+01 -4.6824E+00  9.8905E+00
CT            2997   12.011000    0.145000
  1.6938E+01 -4.5761E+00 -1.5632E+01
OH            2998   15.999000   -0.698000
  1.6484E+01 -3.3075E+00 -1.5177E+01
HO            2999    1.008000    0.433000
  1.7260E+01 -3.0555E+00 -1.4748E+01
HC            3000    1.008000    0.040000
  1.6772E+01 -5.2509E+00 -1.4863E+01
HC            3001    1.008000    0.040000
  1.7985E+01 -4.6041E+00 -1.5976E+01
HC            3002    1.008000    0.040000
  1.6310E+01 -4.8341E+00 -1.6464E+01
CT            3003   12.011000    0.145000
 -2.0617E+00 -1.1289E+01 -1.1399E+01
OH            3004   15.999000   -0.698000
 -2.8170E+00 -1.0473E+01 -1.2341E+01
HO            3005    1.008000    0.433000
 -3.5835E+00 -1.0060E+01 -1.1782E+01
HC            3006    1.008000    0.040000
 -2.6898E+00 -1.1854E+01 -1.0717E+01
HC            3007    1.008000    0.040000
 -1.6058E+00 -1.0527E+01 -1.0764E+01
HC            3008    1.008000    0.040000
 -1.4230E+00 -1.1905E+01 -1.1919E+01
CT            3009   12.011000    0.145000
  1.4776E+01  7.6496E+00  5.6227E+00
OH            3010   15.999000   -0.698000
  1.4702E+01  7.6614E+00  4.2607E+00
HO            3011    1.008000    0.433000
  1.3925E+01  8.1814E+00  4.0611E+00
HC            3012    1.008000    0.040000
  1.5212E+01  8.5597E+00  6.0920E+00
HC            3013    1.008000    0.040000
  1.5432E+01  6.7830E+00  5.9300E+00
HC            3014    1.008000    0.040000
  1.3782E+01  7.4220E+00  6.1030E+00
CT            3015   12.011000    0.145000
  1.6042E+01  1.4631E+01  1.6254E+01
OH            3016   15.999000   -0.698000
  1.4882E+01  1.3889E+01  1.6548E+01
HO            3017    1.008000    0.433000
  1.4978E+01  1.3427E+01  1.7342E+01
HC            3018    1.008000    0.040000
  1.5991E+01  1.5439E+01  1.5518E+01
HC            3019    1.008000    0.040000
  1.6775E+01  1.3880E+01  1.5873E+01
HC            3020    1.008000    0.040000
  1.6495E+01  1.5023E+01  1.7127E+01
CT            3021   12.011000    0.145000
 -9.1075E+00 -7.4541E+00  1.1763E+01
OH            3022   15.999000   -0.698000
 -8.0931E+00 -8.4218E+00  1.1806E+01
HO            3023    1.008000    0.433000
 -7.6237E+00 -8.2897E+00  1.2635E+01
HC            3024    1.008000    0.040000
 -9.3897E+00 -7.2901E+00  1.2787E+01
HC            3025    1.008000    0.040000
 -1.0032E+01 -7.8114E+00  1.1240E+01
HC            3026    1.008000    0.040000
 -8.6723E+00 -6.5200E+00  1.1417E+01
CT            3027   12.011000    0.145000
  1.6037E+00 -1.0617E+01 -1.5701E+01
OH            3028   15.999000   -0.698000
  8.4155E-01 -1.0581E+01 -1.6930E+01
HO            3029    1.008000    0.433000
  1.1125E+00 -9.7646E+00 -1.7401E+01
HC            3030    1.008000    0.040000
  2.7231E+00 -1.0577E+01 -1.5794E+01
HC            3031    1.008000    0.040000
  1.3187E+00 -1.1635E+01 -1.5330E+01
HC            3032    1.008000    0.040000
  1.2814E+00 -9.8625E+00 -1.5004E+01
CT            3033   12.011000    0.145000
  1.7192E+01  1.1320E+01 -9.6972E+00
OH            3034   15.999000   -0.698000
  1.7882E+01  1.0957E+01 -8.5413E+00
HO            3035    1.008000    0.433000
  1.7335E+01  1.0461E+01 -7.9527E+00
HC            3036    1.008000    0.040000
  1.6839E+01  1.0374E+01 -1.0137E+01
HC            3037    1.008000    0.040000
  1.7823E+01  1.1950E+01 -1.0328E+01
HC            3038    1.008000    0.040000
  1.6303E+01  1.1933E+01 -9.4804E+00
CT            3039   12.011000    0.145000
 -1.0813E+01  1.0392E-01  1.0887E+01
OH            3040   15.999000   -0.698000
 -1.0266E+01 -1.1863E+00  1.1086E+01
HO            3041    1.008000    0.433000
 -9.9074E+00 -1.2894E+00  1.0197E+01
HC            3042    1.008000    0.040000
 -1.0477E+01  6.2647E-01  9.9731E+00
HC            3043    1.008000    0.040000
 -1.0482E+01  7.7782E-01  1.1732E+01
HC            3044    1.008000    0.040000
 -1.1906E+01  4.8291E-02  1.0852E+01
CT            3045   12.011000    0.145000
  9.4249E+00 -9.5483E+00  7.9033E+00
OH            3046   15.999000   -0.698000
  1.0517E+01 -9.0195E+00  8.5400E+00
HO            3047    1.008000    0.433000
  1.0214E+01 -8.3205E+00  9.0667E+00
HC            3048    1.008000    0.040000
  8.6057E+00 -9.8579E+00  8.5627E+00
HC            3049    1.008000    0.040000
  9.8723E+00 -1.0461E+01  7.4562E+00
HC            3050    1.008000    0.040000
  9.1200E+00 -8.9019E+00  7.0885E+00
CT            3051   12.011000    0.145000
 -1.0164E+01 -1.7477E+01 -5.0976E+00
OH            3052   15.999000   -0.698000
 -9.4407E+00 -1.6285E+01 -5.3276E+00
HO            3053    1.008000    0.433000
 -9.5723E+00 -1.5733E+01 -4.5717E+00
HC            3054    1.008000    0.040000
 -1.1249E+01 -1.7376E+01 -5.0328E+00
HC            3055    1.008000    0.040000
 -9.9846E+00 -1.8046E+01 -4.1702E+00
HC            3056    1.008000    0.040000
 -9.8287E+00  1.8106E+01 -5.9012E+00
CT            3057   12.011000    0.145000
  1.3693E+01 -5.1787E+00  1.7291E+01
OH            3058   15.999000   -0.698000
  1.2984E+01 -6.3667E+00  1.7427E+01
HO            3059    1.008000    0.433000
  1.3418E+01 -6.9720E+00  1.6806E+01
HC            3060    1.008000    0.040000
  1.3439E+01 -4.6981E+00  1.6368E+01
HC            3061    1.008000    0.040000
  1.4795E+01 -5.2677E+00  1.7251E+01
HC            3062    1.008000    0.040000
  1.3388E+01 -4.5394E+00 -1.8084E+01
CT            3063   12.011000    0.145000
  9.4936E+00 -1.0839E+01  1.2274E+01
OH            3064   15.999000   -0.698000
  9.6146E+00 -9.6877E+00  1.3088E+01
HO            3065    1.008000    0.433000
  1.0397E+01 -9.2111E+00  1.2753E+01
HC            3066    1.008000    0.040000
  1.0280E+01 -1.0768E+01  1.1629E+01
HC            3067    1.008000    0.040000
  8.5984E+00 -1.0873E+01  1.1735E+01
HC            3068    1.008000    0.040000
  9.5316E+00 -1.1719E+01  1.2923E+01
CT            3069   12.011000    0.145000
 -2.8191E+00 -4.4399E+00 -1.7111E+01
OH            3070   15.999000   -0.698000
 -2.9602E+00 -3.6604E+00  1.7942E+01
HO            3071    1.008000    0.433000
 -3.0540E+00 -2.7263E+00 -1.8044E+01
HC            3072    1.008000    0.040000
 -3.1754E+00 -5.4559E+00 -1.7368E+01
HC            3073    1.008000    0.040000
 -3.4692E+00 -4.0222E+00 -1.6283E+01
HC            3074    1.008000    0.040000
 -1.7775E+00 -4.4190E+00 -1.6762E+01
CT            3075   12.011000    0.145000
  9.7218E+00  1.7906E+01 -8.3972E+00
OH            3076   15.999000   -0.698000
  8.6872E+00  1.7456E+01 -9.1874E+00
HO            3077    1.008000    0.433000
  7.8643E+00  1.7686E+01 -8.8146E+00
HC            3078    1.008000    0.040000
  9.4047E+00  1.7989E+01 -7.3528E+00
HC            3079    1.008000    0.040000
  9.8975E+00 -1.7243E+01 -8.6582E+00
HC            3080    1.008000    0.040000
  1.0597E+01  1.7317E+01 -8.4476E+00
CT            3081   12.011000    0.145000
 -1.5449E+01  5.8735E+00 -1.1098E+01
OH            3082   15.999000   -0.698000
 -1.5730E+01  5.1377E+00 -9.9069E+00
HO            3083    1.008000    0.433000
 -1.6596E+01  5.2818E+00 -9.7394E+00
HC            3084    1.008000    0.040000
 -1.5500E+01  6.9376E+00 -1.0882E+01
HC            3085    1.008000    0.040000
 -1.6015E+01  5.6853E+00 -1.2092E+01
HC            3086    1.008000    0.040000
 -1.4337E+01  5.7772E+00 -1.1375E+01
CT            3087   12.011000    0.145000
 -1.4546E+01 -1.1407E+01  1.6951E+00
OH            3088   15.999000   -0.698000
 -1.3821E+01 -1.1034E+01  2.7947E+00
HO            3089    1.008000    0.433000
 -1.3832E+01 -1.0074E+01  2.8108E+00
HC            3090    1.008000    0.040000
 -1.4444E+01 -1.0559E+01  1.0301E+00
HC            3091    1.008000    0.040000
 -1.5612E+01 -1.1513E+01  1.9439E+00
HC            3092    1.008000    0.040000
 -1.4066E+01 -1.2277E+01  1.3195E+00
CT            3093   12.011000    0.145000
  4.7684E+00  5.2006E+00  7.8874E+00
OH            3094   15.999000   -0.698000
  4.8741E+00  6.5495E+00  8.2085E+00
HO            3095    1.008000    0.433000
  5.4725E+00  6.9554E+00  7.6050E+00
HC            3096    1.008000    0.040000
  5.0535E+00  5.0039E+00  6.8125E+00
HC            3097    1.008000    0.040000
  3.7747E+00  4.8048E+00  7.9325E+00
HC            3098    1.008000    0.040000
  5.3964E+00  4.5813E+00  8.5643E+00
CT            3099   12.011000    0.145000
 -1.5140E+01  1.0094E+01 -1.7672E+01
OH            3100   15.999000   -0.698000
 -1.4401E+01  1.0791E+01  1.7560E+01
HO            3101    1.008000    0.433000
 -1.3716E+01  1.0269E+01  1.7133E+01
HC            3102    1.008000    0.040000
 -1.4450E+01  9.4283E+00 -1.7241E+01
HC            3103    1.008000    0.040000
 -1.5991E+01  9.5341E+00 -1.8079E+01
HC            3104    1.008000    0.040000
 -1.5541E+01  1.0762E+01 -1.6925E+01
CT            3105   12.011000    0.145000
 -2.5696E+00 -1.2711E+01 -5.2986E+00
OH            3106   15.999000   -0.698000
 -1.1782E+00 -1.2514E+01 -5.3214E+00
HO            3107    1.008000    0.433000
 -8.0069E-01 -1.3277E+01 -4.8953E+00
HC            3108    1.008000    0.040000
 -2.8759E+00 -1.3005E+01 -4.2225E+00
HC            3109    1.008000    0.040000
 -2.8039E+00 -1.3534E+01 -5.9976E+00
HC            3110    1.008000    0.040000
 -3.1103E+00 -1.1728E+01 -5.5725E+00
CT            3111   12.011000    0.145000
  1.5896E+01 -9.1861E+00 -1.3750E-01
OH            3112   15.999000   -0.698000
  1.5955E+01 -1.0120E+01  9.4060E-01
HO            3113    1.008000    0.433000
  1.6887E+01 -1.0421E+01  9.8946E-01
HC            3114    1.008000    0.040000
  1.6590E+01 -8.3823E+00  1.7970E-02
HC            3115    1.008000    0.040000
  1.4892E+01 -8.7133E+00 -5.5878E-03
HC            3116    1.008000    0.040000
  1.6125E+01 -9.6014E+00 -1.0875E+00
CT            3117   12.011000    0.145000
 -4.4557E+00 -8.0839E+00  1.7315E+01
OH            3118   15.999000   -0.698000
 -4.7480E+00 -7.9400E+00  1.5946E+01
HO            3119    1.008000    0.433000
 -4.7542E+00 -8.8245E+00  1.5557E+01
HC            3120    1.008000    0.040000
 -4.2193E+00 -7.1008E+00  1.7728E+01
HC            3121    1.008000    0.040000
 -3.6225E+00 -8.8190E+00  1.7562E+01
HC            3122    1.008000    0.040000
 -5.3540E+00 -8.4464E+00  1.7898E+01
CT            3123   12.011000    0.145000
  3.8994E+00  1.6669E+01  9.6333E+00
OH            3124   15.999000   -0.698000
  4.0464E+00  1.6062E+01  1.0946E+01
HO            3125    1.008000    0.433000
  4.7553E+00  1.6536E+01  1.1362E+01
HC            3126    1.008000    0.040000
  3.3333E+00  1.7580E+01  9.6315E+00
HC            3127    1.008000    0.040000
  3.3767E+00  1.5946E+01  8.9660E+00
HC            3128    1.008000    0.040000
  4.8011E+00  1.6947E+01  9.2300E+00
CT            3129   12.011000    0.145000
 -3.5951E+00  1.3636E+01 -1.3781E+01
OH            3130   15.999000   -0.698000
 -3.9653E+00  1.4991E+01 -1.3391E+01
HO            3131    1.008000    0.433000
 -3.3298E+00  1.5380E+01 -1.2806E+01
HC            3132    1.008000    0.040000
 -2.6253E+00  1.3584E+01 -1.4322E+01
HC            3133    1.008000    0.040000
 -4.3974E+00  1.3237E+01 -1.4368E+01
HC            3134    1.008000    0.040000
 -3.5370E+00  1.2967E+01 -1.3002E+01
CT            3135   12.011000    0.145000
  1.7968E+01 -1.1345E+01 -3.2532E+00
OH            3136   15.999000   -0.698000
 -1.6894E+01 -1.1447E+01 -3.5573E+00
HO            3137    1.008000    0.433000
 -1.6785E+01 -1.0830E+01 -4.2598E+00
HC            3138    1.008000    0.040000
  1.7695E+01 -1.2101E+01 -2.5148E+00
HC            3139    1.008000    0.040000
  1.7231E+01 -1.1563E+01 -4.0362E+00
HC            3140    1.008000    0.040000
  1.7781E+01 -1.0385E+01 -2.8206E+00
CT            3141   12.011000    0.145000
  1.1124E-03  7.4595E+00  1.6598E+01
OH            3142   15.999000   -0.698000
 -7.2473E-01  6.4618E+00  1.6049E+01
HO            3143    1.008000    0.433000
 -2.5353E-01  6.3314E+00  1.5167E+01
HC            3144    1.008000    0.040000
 -5.5350E-01  8.1224E+00  1.7343E+01
HC            3145    1.008000    0.040000
  4.0707E-01  8.1380E+00  1.5835E+01
HC            3146    1.008000    0.040000
  8.8566E-01  7.0636E+00  1.7077E+01
CT            3147   12.011000    0.145000
 -1.1414E+01  2.4992E+00  2.5056E+00
OH            3148   15.999000   -0.698000
 -1.0122E+01  2.3869E+00  1.9049E+00
HO            3149    1.008000    0.433000
 -1.0057E+01  3.1011E+00  1.2216E+00
HC            3150    1.008000    0.040000
 -1.2110E+01  2.7833E+00  1.6414E+00
HC            3151    1.008000    0.040000
 -1.1460E+01  3.2737E+00  3.2383E+00
HC            3152    1.008000    0.040000
 -1.1749E+01  1.6059E+00  3.0060E+00
CT            3153   12.011000    0.145000
  1.0306E+01 -4.6874E-01 -1.3549E+01
OH            3154   15.999000   -0.698000
  1.0427E+01 -1.8507E+00 -1.3110E+01
HO            3155    1.008000    0.433000
  9.5537E+00 -2.2595E+00 -1.3138E+01
HC            3156    1.008000    0.040000
  1.0366E+01 -4.6829E-01 -1.4632E+01
HC            3157    1.008000    0.040000
  1.1226E+01  1.5064E-02 -1.3293E+01
HC            3158    1.008000    0.040000
  9.4469E+00  1.0331E-01 -1.3115E+01
CT            3159   12.011000    0.145000
 -1.7635E+01 -4.9476E+00 -3.0287E+00
OH            3160   15.999000   -0.698000
 -1.6288E+01 -5.2059E+00 -2.6081E+00
HO            3161    1.008000    0.433000
 -1.6033E+01 -5.9782E+00 -3.0850E+00
HC            3162    1.008000    0.040000
 -1.7845E+01 -5.2833E+00 -4.0323E+00
HC            3163    1.008000    0.040000
 -1.8082E+01 -3.9247E+00 -3.1479E+00
HC            3164    1.008000    0.040000
  1.7975E+01 -5.4454E+00 -2.3049E+00
CT            3165   12.011000    0.145000
 -9.8184E+00  1.7395E+01 -9.4796E+00
OH            3166   15.999000   -0.698000
 -9.8146E+00  1.6122E+01 -1.0118E+01
HO            3167    1.008000    0.433000
 -8.9237E+00  1.5754E+01 -1.0046E+01
HC            3168    1.008000    0.040000
 -9.3991E+00 -1.8118E+01 -1.0218E+01
HC            3169    1.008000    0.040000
 -9.3470E+00  1.7470E+01 -8.4951E+00
HC            3170    1.008000    0.040000
 -1.0866E+01  1.7742E+01 -9.2088E+00
CT            3171   12.011000    0.145000
  1.6082E+01  1.8531E+00 -2.9037E+00
OH            3172   15.999000   -0.698000
  1.5181E+01  2.8421E+00 -3.2785E+00
HO            3173    1.008000    0.433000
  1.4852E+01  3.1934E+00 -2.4431E+00
HC            3174    1.008000    0.040000
  1.6783E+01  1.6258E+00 -3.6893E+00
HC            3175    1.008000    0.040000
  1.5672E+01  1.0180E+00 -2.4801E+00
HC            3176    1.008000    0.040000
  1.6652E+01  2.3590E+00 -2.1481E+00
CT            3177   12.011000    0.145000
 -4.6767E+00 -6.5361E+00  1.1489E+01
OH            3178   15.999000   -0.698000
 -4.9011E+00 -7.7946E+00  1.1967E+01
HO            3179    1.008000    0.433000
 -5.4602E+00 -7.7396E+00  1.2712E+01
HC            3180    1.008000    0.040000
 -5.6173E+00 -5.8570E+00  1.1489E+01
HC            3181    1.008000    0.040000
 -4.2995E+00 -6.5473E+00  1.0511E+01
HC            3182    1.008000    0.040000
 -3.9679E+00 -6.0332E+00  1.2136E+01
CT            3183   12.011000    0.145000
 -4.7427E+00 -7.8395E+00 -1.1033E+01
OH            3184   15.999000   -0.698000
 -4.5243E+00 -9.1710E+00 -1.0701E+01
HO            3185    1.008000    0.433000
 -4.9424E+00 -9.3453E+00 -9.8058E+00
HC            3186    1.008000    0.040000
 -4.4073E+00 -7.1197E+00 -1.0274E+01
HC            3187    1.008000    0.040000
 -5.8008E+00 -7.6156E+00 -1.1194E+01
HC            3188    1.008000    0.040000
 -4.2116E+00 -7.6434E+00 -1.1975E+01
CT            3189   12.011000    0.145000
 -4.2628E+00  6.5993E+00  1.3288E+01
OH            3190   15.999000   -0.698000
 -4.3888E+00  7.5642E+00  1.2312E+01
HO            3191    1.008000    0.433000
 -3.7758E+00  8.2972E+00  1.2385E+01
HC            3192    1.008000    0.040000
 -4.9491E+00  5.7915E+00  1.2994E+01
HC            3193    1.008000    0.040000
 -4.4117E+00  6.9892E+00  1.4281E+01
HC            3194    1.008000    0.040000
 -3.1792E+00  6.2905E+00  1.3340E+01
CT            3195   12.011000    0.145000
 -1.2052E+01  2.5987E+00 -6.5430E+00
OH            3196   15.999000   -0.698000
 -1.1491E+01  3.6198E+00 -7.3401E+00
HO            3197    1.008000    0.433000
 -1.1496E+01  3.2931E+00 -8.2979E+00
HC            3198    1.008000    0.040000
 -1.2368E+01  2.7985E+00 -5.5345E+00
HC            3199    1.008000    0.040000
 -1.1442E+01  1.6354E+00 -6.6802E+00
HC            3200    1.008000    0.040000
 -1.2907E+01  2.3877E+00 -7.1293E+00
CT            3201   12.011000    0.145000
 -5.1647E+00 -2.4482E+00 -1.3162E+00
OH            3202   15.999000   -0.698000
 -5.8050E+00 -1.2054E+00 -1.3593E+00
HO            3203    1.008000    0.433000
 -5.8614E+00 -7.8828E-01 -4.5603E-01
HC            3204    1.008000    0.040000
 -4.6582E+00 -2.5848E+00 -3.6324E-01
HC            3205    1.008000    0.040000
 -4.4349E+00 -2.4953E+00 -2.1217E+00
HC            3206    1.008000    0.040000
 -5.9181E+00 -3.2394E+00 -1.3752E+00
CT            3207   12.011000    0.145000
 -1.5335E+00 -1.5688E+01 -8.1904E+00
OH            3208   15.999000   -0.698000
 -6.9715E-01 -1.6631E+01 -8.7513E+00
HO            3209    1.008000    0.433000
 -9.6134E-01 -1.6789E+01 -9.6624E+00
HC            3210    1.008000    0.040000
 -2.1481E+00 -1.5224E+01 -8.9345E+00
HC            3211    1.008000    0.040000
 -9.9594E-01 -1.4929E+01 -7.6205E+00
HC            3212    1.008000    0.040000
 -2.0733E+00 -1.6329E+01 -7.4897E+00
CT            3213   12.011000    0.145000
 -5.7535E+00  1.7977E+01  5.2836E+00
OH            3214   15.999000   -0.698000
 -5.6250E+00  1.7695E+01  6.6522E+00
HO            3215    1.008000    0.433000
 -4.6830E+00  1.7613E+01  6.8069E+00
HC            3216    1.008000    0.040000
 -5.8418E+00 -1.7178E+01  5.2304E+00
HC            3217    1.008000    0.040000
 -6.5657E+00  1.7508E+01  4.8428E+00
HC            3218    1.008000    0.040000
 -4.8801E+00  1.7521E+01  4.7202E+00
CT            3219   12.011000    0.145000
  6.7399E-01 -6.1124E+00 -1.5767E+01
OH            3220   15.999000   -0.698000
 -2.1390E-01 -5.4837E+00 -1.4764E+01
HO            3221    1.008000    0.433000
 -1.0374E+00 -6.0093E+00 -1.4635E+01
HC            3222    1.008000    0.040000
  7.3487E-02 -6.1451E+00 -1.6656E+01
HC            3223    1.008000    0.040000
  9.4542E-01 -7.1113E+00 -1.5488E+01
HC            3224    1.008000    0.040000
  1.4846E+00 -5.5120E+00 -1.5982E+01
CT            3225   12.011000    0.145000
  1.2067E+01 -1.4614E+01 -8.1875E+00
OH            3226   15.999000   -0.698000
  1.1730E+01 -1.3310E+01 -8.6102E+00
HO            3227    1.008000    0.433000
  1.1132E+01 -1.2842E+01 -8.0007E+00
HC            3228    1.008000    0.040000
  1.3076E+01 -1.4666E+01 -7.8888E+00
HC            3229    1.008000    0.040000
  1.1931E+01 -1.5323E+01 -9.0622E+00
HC            3230    1.008000    0.040000
  1.1520E+01 -1.4953E+01 -7.3910E+00
CT            3231   12.011000    0.145000
  2.9789E+00  9.8125E+00  1.7787E+01
OH            3232   15.999000   -0.698000
  3.0798E+00  1.0847E+01  1.6796E+01
HO            3233    1.008000    0.433000
  3.5145E+00  1.1589E+01  1.7259E+01
HC            3234    1.008000    0.040000
  2.5563E+00  1.0207E+01 -1.7528E+01
HC            3235    1.008000    0.040000
  3.8884E+00  9.3450E+00  1.8085E+01
HC            3236    1.008000    0.040000
  2.3926E+00  9.0541E+00  1.7392E+01
CT            3237   12.011000    0.145000
  6.2013E-01  1.4128E+01 -5.7123E+00
OH            3238   15.999000   -0.698000
  1.4228E+00  1.5099E+01 -6.3422E+00
HO            3239    1.008000    0.433000
  9.8155E-01  1.5941E+01 -6.3599E+00
HC            3240    1.008000    0.040000
  9.9694E-01  1.3120E+01 -5.9229E+00
HC            3241    1.008000    0.040000
 -3.5311E-01  1.4173E+01 -6.2360E+00
HC            3242    1.008000    0.040000
  4.7019E-01  1.4354E+01 -4.6586E+00
CT            3243   12.011000    0.145000
 -1.7529E+01 -1.7330E+01 -1.3472E+01
OH            3244   15.999000   -0.698000
 -1.6330E+01 -1.7044E+01 -1.4211E+01
HO            3245    1.008000    0.433000
 -1.5700E+01 -1.6640E+01 -1.3616E+01
HC            3246    1.008000    0.040000
 -1.7210E+01 -1.8072E+01 -1.2720E+01
HC            3247    1.008000    0.040000
  1.7988E+01 -1.7807E+01 -1.4083E+01
HC            3248    1.008000    0.040000
 -1.7933E+01 -1.6442E+01 -1.2939E+01
CT            3249   12.011000    0.145000
 -4.2721E+00 -1.5574E+01 -1.2486E+01
OH            3250   15.999000   -0.698000
 -4.0736E+00 -1.5761E+01 -1.1098E+01
HO            3251    1.008000    0.433000
 -4.9834E+00 -1.6038E+01 -1.0832E+01
HC            3252    1.008000    0.040000
 -5.0291E+00 -1.4799E+01 -1.2564E+01
HC            3253    1.008000    0.040000
 -4.5668E+00 -1.6469E+01 -1.2915E+01
HC            3254    1.008000    0.040000
 -3.4089E+00 -1.5231E+01 -1.3011E+01
CT            3255   12.011000    0.145000
 -1.7249E+01  1.0259E+01  1.5050E+01
OH            3256   15.999000   -0.698000
 -1.6661E+01  1.1063E+01  1.6017E+01
HO            3257    1.008000    0.433000
 -1.5929E+01  1.0575E+01  1.6410E+01
HC            3258    1.008000    0.040000
 -1.7747E+01  9.4414E+00  1.5477E+01
HC            3259    1.008000    0.040000
 -1.6444E+01  9.8368E+00  1.4450E+01
HC            3260    1.008000    0.040000
 -1.7993E+01  1.0708E+01  1.4465E+01
CT            3261   12.011000    0.145000
 -1.0805E+01 -1.4787E+01 -2.8142E+00
OH            3262   15.999000   -0.698000
 -9.5718E+00 -1.4430E+01 -3.4569E+00
HO            3263    1.008000    0.433000
 -9.7129E+00 -1.3500E+01 -3.7538E+00
HC            3264    1.008000    0.040000
 -1.1678E+01 -1.4713E+01 -3.4438E+00
HC            3265    1.008000    0.040000
 -1.1039E+01 -1.4256E+01 -1.8197E+00
HC            3266    1.008000    0.040000
 -1.0816E+01 -1.5819E+01 -2.4521E+00
CT            3267   12.011000    0.145000
 -1.5450E+01  7.4453E+00 -9.6369E-01
OH            3268   15.999000   -0.698000
 -1.4546E+01  8.0682E+00 -1.9223E+00
HO            3269    1.008000    0.433000
 -1.3776E+01  7.5155E+00 -1.9773E+00
HC            3270    1.008000    0.040000
 -1.5959E+01  6.5919E+00 -1.5410E+00
HC            3271    1.008000    0.040000
 -1.6221E+01  8.0886E+00 -5.1063E-01
HC            3272    1.008000    0.040000
 -1.4897E+01  7.0314E+00 -1.2779E-01
CT            3273   12.011000    0.145000
  6.1855E+00 -1.5017E+01  1.1234E+01
OH            3274   15.999000   -0.698000
  6.2334E+00 -1.3682E+01  1.1663E+01
HO            3275    1.008000    0.433000
  6.7464E+00 -1.3628E+01  1.2443E+01
HC            3276    1.008000    0.040000
  6.0672E+00 -1.5187E+01  1.0114E+01
HC            3277    1.008000    0.040000
  5.3540E+00 -1.5617E+01  1.1591E+01
HC            3278    1.008000    0.040000
  7.1564E+00 -1.5533E+01  1.1414E+01
CT            3279   12.011000    0.145000
  9.7944E+00 -6.2471E+00 -1.5843E+01
OH            3280   15.999000   -0.698000
  9.9172E+00 -7.7010E+00 -1.6023E+01
HO            3281    1.008000    0.433000
  9.5275E+00 -8.1235E+00 -1.5224E+01
HC            3282    1.008000    0.040000
  1.0618E+01 -5.6426E+00 -1.6393E+01
HC            3283    1.008000    0.040000
  9.9428E+00 -6.0217E+00 -1.4805E+01
HC            3284    1.008000    0.040000
  8.8622E+00 -5.8398E+00 -1.6189E+01
CT            3285   12.011000    0.145000
  1.1714E+01  2.4280E+00  1.6341E+01
OH            3286   15.999000   -0.698000
  1.2402E+01  2.2929E+00  1.7543E+01
HO            3287    1.008000    0.433000
  1.3229E+01  2.0864E+00  1.7233E+01
HC            3288    1.008000    0.040000
  1.2308E+01  3.0783E+00  1.5775E+01
HC            3289    1.008000    0.040000
  1.0753E+01  2.9329E+00  1.6427E+01
HC            3290    1.008000    0.040000
  1.1555E+01  1.4662E+00  1.5784E+01
CT            3291   12.011000    0.145000
  1.4735E+01 -1.6087E+01  6.2067E+00
OH            3292   15.999000   -0.698000
  1.4890E+01 -1.5865E+01  4.8061E+00
HO            3293    1.008000    0.433000
  1.4053E+01 -1.5805E+01  4.3906E+00
HC            3294    1.008000    0.040000
  1.5681E+01 -1.6402E+01  6.5938E+00
HC            3295    1.008000    0.040000
  1.3969E+01 -1.6856E+01  6.4812E+00
HC            3296    1.008000    0.040000
  1.4536E+01 -1.5149E+01  6.7865E+00
CT            3297   12.011000    0.145000
  4.8244E+00 -1.4983E+01 -1.7267E+01
OH            3298   15.999000   -0.698000
  3.7155E+00 -1.4133E+01 -1.7337E+01
HO            3299    1.008000    0.433000
  3.1426E+00 -1.4388E+01 -1.8060E+01
HC            3300    1.008000    0.040000
  5.7031E+00 -1.4744E+01 -1.7762E+01
HC            3301    1.008000    0.040000
  4.6844E+00 -1.6051E+01 -1.7518E+01
HC            3302    1.008000    0.040000
  5.0925E+00 -1.5149E+01 -1.6228E+01
CT            3303   12.011000    0.145000
  8.7158E+00  7.8025E+00 -4.4550E+00
OH            3304   15.999000   -0.698000
  8.5951E+00  6.5950E+00 -3.7480E+00
HO            3305    1.008000    0.433000
  9.2478E+00  6.7879E+00 -3.0231E+00
HC            3306    1.008000    0.040000
  7.9082E+00  8.1514E+00 -5.0570E+00
HC            3307    1.008000    0.040000
  9.5377E+00  7.7251E+00 -5.0778E+00
HC            3308    1.008000    0.040000
  9.0943E+00  8.5241E+00 -3.7248E+00
CT            3309   12.011000    0.145000
 -1.2862E+01 -1.5905E+01  2.9652E+00
OH            3310   15.999000   -0.698000
 -1.2341E+01 -1.7036E+01  2.2741E+00
HO            3311    1.008000    0.433000
 -1.2413E+01 -1.7777E+01  2.8960E+00
HC            3312    1.008000    0.040000
 -1.2908E+01 -1.5071E+01  2.2192E+00
HC            3313    1.008000    0.040000
 -1.2181E+01 -1.5566E+01  3.7197E+00
HC            3314    1.008000    0.040000
 -1.3828E+01 -1.6007E+01  3.4474E+00
CT            3315   12.011000    0.145000
 -1.2445E+01 -9.8706E+00  6.4573E+00
OH            3316   15.999000   -0.698000
 -1.1626E+01 -1.0228E+01  5.3550E+00
HO            3317    1.008000    0.433000
 -1.0932E+01 -1.0781E+01  5.6322E+00
HC            3318    1.008000    0.040000
 -1.1807E+01 -9.4209E+00  7.2017E+00
HC            3319    1.008000    0.040000
 -1.2879E+01 -1.0795E+01  6.7479E+00
HC            3320    1.008000    0.040000
 -1.3257E+01 -9.1345E+00  6.2010E+00
CT            3321   12.011000    0.145000
  1.1914E+00 -1.7411E+01  6.6619E+00
OH            3322   15.999000   -0.698000
  1.1635E-01 -1.7672E+01  7.4205E+00
HO            3323    1.008000    0.433000
 -2.5405E-01 -1.6838E+01  7.8049E+00
HC            3324    1.008000    0.040000
  1.8780E+00 -1.6710E+01  7.1578E+00
HC            3325    1.008000    0.040000
  9.4675E-01 -1.6941E+01  5.7174E+00
HC            3326    1.008000    0.040000
  1.8055E+00  1.7941E+01  6.5962E+00
CT            3327   12.011000    0.145000
 -3.2267E+00 -1.7600E+01  2.3102E+00
OH            3328   15.999000   -0.698000
 -2.4802E+00 -1.6384E+01  2.2043E+00
HO            3329    1.008000    0.433000
 -2.4170E+00 -1.6058E+01  3.0825E+00
HC            3330    1.008000    0.040000
 -2.9280E+00  1.8025E+01  3.1099E+00
HC            3331    1.008000    0.040000
 -3.0433E+00  1.8034E+01  1.4059E+00
HC            3332    1.008000    0.040000
 -4.3057E+00 -1.7370E+01  2.2235E+00
CT            3333   12.011000    0.145000
 -4.7758E+00  2.0918E+00 -2.4897E+00
OH            3334   15.999000   -0.698000
 -4.4445E+00  9.3215E-01 -3.2160E+00
HO            3335    1.008000    0.433000
 -4.6230E+00  1.3716E-01 -2.6326E+00
HC            3336    1.008000    0.040000
 -4.3873E+00  2.9576E+00 -2.8565E+00
HC            3337    1.008000    0.040000
 -4.3693E+00  1.9436E+00 -1.4739E+00
HC            3338    1.008000    0.040000
 -5.8619E+00  2.1987E+00 -2.4674E+00
CT            3339   12.011000    0.145000
  1.3121E+01  2.0919E+00  1.2144E+01
OH            3340   15.999000   -0.698000
  1.3686E+01  1.9781E+00  1.0881E+01
HO            3341    1.008000    0.433000
  1.4342E+01  1.3330E+00  1.1061E+01
HC            3342    1.008000    0.040000
  1.2463E+01  2.9468E+00  1.2183E+01
HC            3343    1.008000    0.040000
  1.3896E+01  2.1661E+00  1.2903E+01
HC            3344    1.008000    0.040000
  1.2494E+01  1.2916E+00  1.2427E+01
CT            3345   12.011000    0.145000
  7.6744E+00 -1.5580E+01 -1.4614E+01
OH            3346   15.999000   -0.698000
  7.1285E+00 -1.6859E+01 -1.4412E+01
HO            3347    1.008000    0.433000
  7.5008E+00 -1.7172E+01 -1.3595E+01
HC            3348    1.008000    0.040000
  7.0442E+00 -1.5211E+01 -1.5433E+01
HC            3349    1.008000    0.040000
  8.7384E+00 -1.5632E+01 -1.4956E+01
HC            3350    1.008000    0.040000
  7.5329E+00 -1.4839E+01 -1.3732E+01
CT            3351   12.011000    0.145000
  7.6360E+00 -6.6480E+00  1.7061E+01
OH            3352   15.999000   -0.698000
  6.4774E+00 -6.9412E+00  1.6358E+01
HO            3353    1.008000    0.433000
  6.7193E+00 -7.6039E+00  1.5739E+01
HC            3354    1.008000    0.040000
  7.5035E+00 -6.0483E+00  1.7935E+01
HC            3355    1.008000    0.040000
  8.2861E+00 -6.1165E+00  1.6350E+01
HC            3356    1.008000    0.040000
  8.0584E+00 -7.6250E+00  1.7302E+01
CT            3357   12.011000    0.145000
  4.9505E+00  1.6886E+01  2.3382E+00
OH            3358   15.999000   -0.698000
  5.7960E+00  1.6740E+01  3.4742E+00
HO            3359    1.008000    0.433000
  6.3303E+00  1.5937E+01  3.3681E+00
HC            3360    1.008000    0.040000
  5.6121E+00  1.6695E+01  1.4711E+00
HC            3361    1.008000    0.040000
  4.5006E+00  1.7900E+01  2.1821E+00
HC            3362    1.008000    0.040000
  4.2238E+00  1.6041E+01  2.4202E+00
CT            3363   12.011000    0.145000
  1.0365E+01  1.6700E+01  3.1577E+00
OH            3364   15.999000   -0.698000
  8.9927E+00  1.7082E+01  3.2122E+00
HO            3365    1.008000    0.433000
  8.8261E+00  1.7518E+01  4.1188E+00
HC            3366    1.008000    0.040000
  1.0869E+01  1.7462E+01  3.7060E+00
HC            3367    1.008000    0.040000
  1.0800E+01  1.6542E+01  2.1097E+00
HC            3368    1.008000    0.040000
  1.0496E+01  1.5774E+01  3.6556E+00
CT            3369   12.011000    0.145000
  1.7227E+01  6.7877E+00 -1.4999E+01
OH            3370   15.999000   -0.698000
  1.7365E+01  5.8690E+00 -1.3927E+01
HO            3371    1.008000    0.433000
  1.7421E+01  6.4734E+00 -1.3188E+01
HC            3372    1.008000    0.040000
  1.6258E+01  7.3336E+00 -1.4854E+01
HC            3373    1.008000    0.040000
  1.7317E+01  6.3383E+00 -1.6001E+01
HC            3374    1.008000    0.040000
  1.8104E+01  7.4731E+00 -1.5062E+01
CT            3375   12.011000    0.145000
 -5.7048E+00 -1.4394E+01  1.7673E+00
OH            3376   15.999000   -0.698000
 -5.5110E+00 -1.3560E+01  2.9311E+00
HO            3377    1.008000    0.433000
 -5.8673E+00 -1.2734E+01  2.7010E+00
HC            3378    1.008000    0.040000
 -6.7422E+00 -1.4470E+01  1.2888E+00
HC            3379    1.008000    0.040000
 -5.2289E+00 -1.5349E+01  1.8671E+00
HC            3380    1.008000    0.040000
 -5.0227E+00 -1.3923E+01  9.8543E-01
CT            3381   12.011000    0.145000
  1.0796E+01 -1.3006E+00 -1.7768E+01
OH            3382   15.999000   -0.698000
  9.6417E+00 -5.3311E-01 -1.7715E+01
HO            3383    1.008000    0.433000
  9.3652E+00 -3.5193E-01  1.7614E+01
HC            3384    1.008000    0.040000
  1.1727E+01 -6.0171E-01 -1.7738E+01
HC            3385    1.008000    0.040000
  1.0702E+01 -2.0034E+00  1.7614E+01
HC            3386    1.008000    0.040000
  1.0837E+01 -1.8763E+00 -1.6813E+01
CT            3387   12.011000    0.145000
  2.6137E+00 -1.3314E+01  9.7580E+00
OH            3388   15.999000   -0.698000
  1.1951E+00 -1.3363E+01  9.6500E+00
HO            3389    1.008000    0.433000
  9.0524E-01 -1.3567E+01  1.0538E+01
HC            3390    1.008000    0.040000
  3.1372E+00 -1.3502E+01  8.7691E+00
HC            3391    1.008000    0.040000
  2.9967E+00 -1.3948E+01  1.0509E+01
HC            3392    1.008000    0.040000
  2.9757E+00 -1.2282E+01  1.0004E+01
CT            3393   12.011000    0.145000
  1.0097E+01 -2.1288E+00  1.3888E+01
OH            3394   15.999000   -0.698000
  1.1071E+01 -2.7356E+00  1.3091E+01
HO            3395    1.008000    0.433000
  1.0898E+01 -2.4249E+00  1.2198E+01
HC            3396    1.008000    0.040000
  9.1103E+00 -2.5326E+00  1.3631E+01
HC            3397    1.008000    0.040000
  1.0137E+01 -9.9485E-01  1.3842E+01
HC            3398    1.008000    0.040000
  1.0243E+01 -2.2718E+00  1.4915E+01
CT            3399   12.011000    0.145000
  1.2744E+01  1.7168E+01  1.5757E+01
OH            3400   15.999000   -0.698000
  1.3210E+01  1.7689E+01  1.6988E+01
HO            3401    1.008000    0.433000
  1.3587E+01 -1.7653E+01  1.6824E+01
HC            3402    1.008000    0.040000
  1.3648E+01  1.6827E+01  1.5212E+01
HC            3403    1.008000    0.040000
  1.2374E+01  1.7976E+01  1.5160E+01
HC            3404    1.008000    0.040000
  1.2114E+01  1.6253E+01  1.5827E+01
CT            3405   12.011000    0.145000
  5.6750E+00 -1.1785E+01 -1.5192E+01
OH            3406   15.999000   -0.698000
  6.6508E+00 -1.2233E+01 -1.4282E+01
HO            3407    1.008000    0.433000
  6.2848E+00 -1.2270E+01 -1.3453E+01
HC            3408    1.008000    0.040000
  4.7026E+00 -1.2098E+01 -1.4771E+01
HC            3409    1.008000    0.040000
  5.8917E+00 -1.2178E+01 -1.6097E+01
HC            3410    1.008000    0.040000
  5.7463E+00 -1.0660E+01 -1.5216E+01
CT            3411   12.011000    0.145000
  1.7961E+01  1.3306E+01  1.0839E+01
OH            3412   15.999000   -0.698000
  1.6947E+01  1.4028E+01  1.0184E+01
HO            3413    1.008000    0.433000
  1.7360E+01  1.4592E+01  9.5497E+00
HC            3414    1.008000    0.040000
  1.7499E+01  1.2899E+01  1.1736E+01
HC            3415    1.008000    0.040000
 -1.7478E+01  1.3979E+01  1.1144E+01
HC            3416    1.008000    0.040000
 -1.7935E+01  1.2537E+01  1.0124E+01
CT            3417   12.011000    0.145000
 -1.6984E+01 -1.5384E+01 -1.7413E+01
OH            3418   15.999000   -0.698000
 -1.6860E+01 -1.5387E+01  1.7386E+01
HO            3419    1.008000    0.433000
 -1.7412E+01 -1.6149E+01  1.7103E+01
HC            3420    1.008000    0.040000
 -1.7981E+01 -1.5306E+01 -1.7089E+01
HC            3421    1.008000    0.040000
 -1.6453E+01 -1.4481E+01 -1.6975E+01
HC            3422    1.008000    0.040000
 -1.6630E+01 -1.6348E+01 -1.6978E+01
CT            3423   12.011000    0.145000
  1.5195E+01 -3.8494E+00  7.1043E+00
OH            3424   15.999000   -0.698000
  1.5603E+01 -3.6175E+00  8.4207E+00
HO            3425    1.008000    0.433000
  1.4929E+01 -3.9933E+00  8.9834E+00
HC            3426    1.008000    0.040000
  1.4918E+01 -4.9180E+00  6.9796E+00
HC            3427    1.008000    0.040000
  1.5906E+01 -3.5585E+00  6.2858E+00
HC            3428    1.008000    0.040000
  1.4241E+01 -3.3334E+00  6.8887E+00
CT            3429   12.011000    0.145000
 -1.1106E+01  1.5657E+01  6.6816E+00
OH            3430   15.999000   -0.698000
 -1.1005E+01  1.5758E+01  5.2543E+00
HO            3431    1.008000    0.433000
 -1.0180E+01  1.5401E+01  5.0602E+00
HC            3432    1.008000    0.040000
 -1.0284E+01  1.6075E+01  7.1809E+00
HC            3433    1.008000    0.040000
 -1.1292E+01  1.4678E+01  7.0039E+00
HC            3434    1.008000    0.040000
 -1.1955E+01  1.6223E+01  6.9899E+00
CT            3435   12.011000    0.145000
  6.3488E-01 -1.4696E+01 -2.7576E+00
OH            3436   15.999000   -0.698000
  4.1382E-02 -1.4911E+01 -3.9841E+00
HO            3437    1.008000    0.433000
 -4.2934E-01 -1.5770E+01 -3.9047E+00
HC            3438    1.008000    0.040000
  8.9274E-01 -1.3625E+01 -2.5860E+00
HC            3439    1.008000    0.040000
  1.6217E+00 -1.5176E+01 -2.7724E+00
HC            3440    1.008000    0.040000
  4.1758E-02 -1.5103E+01 -1.9254E+00
CT            3441   12.011000    0.145000
  5.1764E+00  2.1342E+00  1.0643E+01
OH            3442   15.999000   -0.698000
  4.1750E+00  1.2461E+00  1.1144E+01
HO            3443    1.008000    0.433000
  4.6187E+00  6.6259E-01  1.1755E+01
HC            3444    1.008000    0.040000
  5.6720E+00  1.7294E+00  9.7671E+00
HC            3445    1.008000    0.040000
  5.8646E+00  2.2842E+00  1.1444E+01
HC            3446    1.008000    0.040000
  4.6842E+00  3.0414E+00  1.0300E+01
CT            3447   12.011000    0.145000
  1.1267E+01 -1.5520E+01  2.8937E+00
OH            3448   15.999000   -0.698000
  1.2320E+01 -1.5360E+01  3.8612E+00
HO            3449    1.008000    0.433000
  1.2099E+01 -1.4482E+01  4.1062E+00
HC            3450    1.008000    0.040000
  1.1624E+01 -1.4976E+01  1.9829E+00
HC            3451    1.008000    0.040000
  1.0292E+01 -1.5094E+01  3.0100E+00
HC            3452    1.008000    0.040000
  1.1185E+01 -1.6600E+01  2.6032E+00
CT            3453   12.011000    0.145000
 -2.1823E+00  1.0034E+01  1.4172E+01
OH            3454   15.999000   -0.698000
 -3.2460E+00  1.0196E+01  1.3277E+01
HO            3455    1.008000    0.433000
 -4.0900E+00  1.0234E+01  1.3688E+01
HC            3456    1.008000    0.040000
 -2.1202E+00  1.0911E+01  1.4826E+01
HC            3457    1.008000    0.040000
 -1.2522E+00  9.9787E+00  1.3671E+01
HC            3458    1.008000    0.040000
 -2.1861E+00  9.1160E+00  1.4760E+01
CT            3459   12.011000    0.145000
  1.5301E+01 -1.1389E+01 -8.2287E+00
OH            3460   15.999000   -0.698000
  1.5911E+01 -1.0135E+01 -8.3913E+00
HO            3461    1.008000    0.433000
  1.5917E+01 -9.9294E+00 -9.3695E+00
HC            3462    1.008000    0.040000
  1.5110E+01 -1.1492E+01 -7.1176E+00
HC            3463    1.008000    0.040000
  1.6009E+01 -1.2094E+01 -8.4528E+00
HC            3464    1.008000    0.040000
  1.4280E+01 -1.1493E+01 -8.6952E+00
CT            3465   12.011000    0.145000
 -1.5317E+01 -1.5434E+01 -1.1493E+01
OH            3466   15.999000   -0.698000
 -1.4562E+01 -1.6028E+01 -1.2455E+01
HO            3467    1.008000    0.433000
 -1.3857E+01 -1.6512E+01 -1.1978E+01
HC            3468    1.008000    0.040000
 -1.4808E+01 -1.4608E+01 -1.0911E+01
HC            3469    1.008000    0.040000
 -1.5686E+01 -1.6146E+01 -1.0776E+01
HC            3470    1.008000    0.040000
 -1.6078E+01 -1.4834E+01 -1.1964E+01
CT            3471   12.011000    0.145000
  1.6735E+01 -6.2749E-01 -5.8705E+00
OH            3472   15.999000   -0.698000
  1.6839E+01 -6.5616E-01 -7.2500E+00
HO            3473    1.008000    0.433000
  1.6946E+01  2.3868E-01 -7.6030E+00
HC            3474    1.008000    0.040000
  1.7703E+01 -3.8636E-01 -5.4172E+00
HC            3475    1.008000    0.040000
  1.6473E+01 -1.5287E+00 -5.3808E+00
HC            3476    1.008000    0.040000
  1.5930E+01  1.7952E-02 -5.4756E+00
CT            3477   12.011000    0.145000
 -1.4239E+00  2.9630E+00  1.5597E+01
OH            3478   15.999000   -0.698000
 -5.0298E-01  1.9614E+00  1.6052E+01
HO            3479    1.008000    0.433000
  3.9783E-03  1.6613E+00  1.5363E+01
HC            3480    1.008000    0.040000
 -1.8507E+00  3.7444E+00  1.6269E+01
HC            3481    1.008000    0.040000
 -2.3579E+00  2.5292E+00  1.5241E+01
HC            3482    1.008000    0.040000
 -8.7659E-01  3.4644E+00  1.4820E+01
CT            3483   12.011000    0.145000
  7.1779E+00 -8.3276E+00  1.0508E+01
OH            3484   15.999000   -0.698000
  7.8990E+00 -7.6983E+00  1.1513E+01
HO            3485    1.008000    0.433000
  7.6132E+00 -8.1229E+00  1.2310E+01
HC            3486    1.008000    0.040000
  7.3203E+00 -7.8020E+00  9.5673E+00
HC            3487    1.008000    0.040000
  6.1341E+00 -8.3047E+00  1.0771E+01
HC            3488    1.008000    0.040000
  7.5129E+00 -9.3340E+00  1.0277E+01
CT            3489   12.011000    0.145000
  1.6639E+01  9.2536E+00  1.7791E+01
OH            3490   15.999000   -0.698000
  1.7040E+01  7.9489E+00  1.7990E+01
HO            3491    1.008000    0.433000
  1.6435E+01  7.4575E+00  1.7438E+01
HC            3492    1.008000    0.040000
  1.5612E+01  9.3738E+00 -1.7976E+01
HC            3493    1.008000    0.040000
  1.6551E+01  9.4688E+00  1.6679E+01
HC            3494    1.008000    0.040000
  1.7380E+01  9.9650E+00 -1.7981E+01
CT            3495   12.011000    0.145000
 -1.5150E+01 -2.1657E+00 -5.2495E+00
OH            3496   15.999000   -0.698000
 -1.6152E+01 -1.2109E+00 -5.0622E+00
HO            3497    1.008000    0.433000
 -1.6569E+01 -1.3854E+00 -4.2441E+00
HC            3498    1.008000    0.040000
 -1.5477E+01 -3.0667E+00 -5.8087E+00
HC            3499    1.008000    0.040000
 -1.4767E+01 -2.5037E+00 -4.2878E+00
HC            3500    1.008000    0.040000
 -1.4351E+01 -1.8275E+00 -5.8221E+00
CT            3501   12.011000    0.145000
  1.0957E-02  1.1136E+01 -1.1386E+01
OH            3502   15.999000   -0.698000
  1.0496E+00  1.0889E+01 -1.2352E+01
HO            3503    1.008000    0.433000
  1.7385E+00  1.0339E+01 -1.1914E+01
HC            3504    1.008000    0.040000
 -4.4633E-01  1.0168E+01 -1.1107E+01
HC            3505    1.008000    0.040000
 -6.2092E-01  1.1812E+01 -1.2011E+01
HC            3506    1.008000    0.040000
  2.4563E-01  1.1620E+01 -1.0444E+01
CT            3507   12.011000    0.145000
  1.5769E+01 -5.5714E-01  1.1857E+01
OH            3508   15.999000   -0.698000
  1.6181E+01  5.6431E-02  1.0646E+01
HO            3509    1.008000    0.433000
  1.6854E+01  7.4202E-01  1.0824E+01
HC            3510    1.008000    0.040000
  1.5625E+01 -1.6210E+00  1.1763E+01
HC            3511    1.008000    0.040000
  1.4836E+01 -2.0895E-01  1.2116E+01
HC            3512    1.008000    0.040000
  1.6426E+01 -4.1646E-01  1.2723E+01
CT            3513   12.011000    0.145000
  6.4333E+00 -1.1815E+00  1.1319E+01
OH            3514   15.999000   -0.698000
  5.4069E+00 -1.2287E+00  1.2253E+01
HO            3515    1.008000    0.433000
  5.2274E+00 -2.2612E+00  1.2374E+01
HC            3516    1.008000    0.040000
  6.1368E+00 -1.7521E+00  1.0451E+01
HC            3517    1.008000    0.040000
  7.3633E+00 -1.5462E+00  1.1886E+01
HC            3518    1.008000    0.040000
  6.6704E+00 -1.7005E-01  1.0940E+01
CT            3519   12.011000    0.145000
 -2.5271E-01  2.1223E+00 -1.6724E+01
OH            3520   15.999000   -0.698000
 -1.0614E+00  1.1328E+00 -1.7419E+01
HO            3521    1.008000    0.433000
 -9.5550E-01  1.3279E+00  1.7883E+01
HC            3522    1.008000    0.040000
 -6.4322E-01  2.2400E+00 -1.5726E+01
HC            3523    1.008000    0.040000
 -3.6079E-01  3.0730E+00 -1.7181E+01
HC            3524    1.008000    0.040000
  7.8552E-01  1.8244E+00 -1.6825E+01
CT            3525   12.011000    0.145000
  1.0464E+00  1.5295E+01  1.1227E+01
OH            3526   15.999000   -0.698000
  1.5312E+00  1.6275E+01  1.2180E+01
HO            3527    1.008000    0.433000
  2.4621E+00  1.6417E+01  1.1910E+01
HC            3528    1.008000    0.040000
  1.9033E+00  1.4628E+01  1.1088E+01
HC            3529    1.008000    0.040000
  8.7873E-01  1.5805E+01  1.0263E+01
HC            3530    1.008000    0.040000
  2.3296E-01  1.4707E+01  1.1605E+01
CT            3531   12.011000    0.145000
 -5.0929E+00 -1.7018E+01  1.5764E+01
OH            3532   15.999000   -0.698000
 -4.7791E+00 -1.6585E+01  1.4441E+01
HO            3533    1.008000    0.433000
 -3.8895E+00 -1.6295E+01  1.4501E+01
HC            3534    1.008000    0.040000
 -4.9606E+00 -1.6149E+01  1.6404E+01
HC            3535    1.008000    0.040000
 -4.5409E+00 -1.7931E+01  1.6114E+01
HC            3536    1.008000    0.040000
 -6.1365E+00 -1.7264E+01  1.5942E+01
CT            3537   12.011000    0.145000
  1.2489E+01  9.2886E+00 -3.2840E+00
OH            3538   15.999000   -0.698000
  1.2743E+01  9.0316E+00 -1.9054E+00
HO            3539    1.008000    0.433000
  1.3288E+01  9.7135E+00 -1.5387E+00
HC            3540    1.008000    0.040000
  1.1891E+01  1.0247E+01 -3.2994E+00
HC            3541    1.008000    0.040000
  1.1852E+01  8.5411E+00 -3.7083E+00
HC            3542    1.008000    0.040000
  1.3415E+01  9.3608E+00 -3.8670E+00
CT            3543   12.011000    0.145000
  3.8737E+00 -1.6295E+01  1.5163E+01
OH            3544   15.999000   -0.698000
  4.6736E+00 -1.7402E+01  1.4773E+01
HO            3545    1.008000    0.433000
  4.3854E+00  1.8066E+01  1.5268E+01
HC            3546    1.008000    0.040000
  4.1376E+00 -1.5905E+01  1.6160E+01
HC            3547    1.008000    0.040000
  2.8037E+00 -1.6511E+01  1.5260E+01
HC            3548    1.008000    0.040000
  4.0199E+00 -1.5461E+01  1.4498E+01
CT            3549   12.011000    0.145000
  1.4721E+01 -2.7478E+00  3.6130E+00
OH            3550   15.999000   -0.698000
  1.5900E+01 -3.2118E+00  3.0255E+00
HO            3551    1.008000    0.433000
  1.5671E+01 -4.1400E+00  2.7321E+00
HC            3552    1.008000    0.040000
  1.4672E+01 -1.7397E+00  3.8852E+00
HC            3553    1.008000    0.040000
  1.4342E+01 -3.2937E+00  4.4168E+00
HC            3554    1.008000    0.040000
  1.3999E+01 -2.8189E+00  2.8040E+00
CT            3555   12.011000    0.145000
  6.3717E+00  1.1617E+01  1.4786E+01
OH            3556   15.999000   -0.698000
  7.4641E+00  1.2527E+01  1.4906E+01
HO            3557    1.008000    0.433000
  7.3828E+00  1.3241E+01  1.5566E+01
HC            3558    1.008000    0.040000
  6.5718E+00  1.0975E+01  1.3953E+01
HC            3559    1.008000    0.040000
  5.4655E+00  1.2177E+01  1.4440E+01
HC            3560    1.008000    0.040000
  6.2079E+00  1.1038E+01  1.5686E+01
CT            3561   12.011000    0.145000
 -9.8120E+00 -2.0796E+00  2.6494E-01
OH            3562   15.999000   -0.698000
 -1.0349E+01 -2.8258E+00  1.2887E+00
HO            3563    1.008000    0.433000
 -1.1120E+01 -2.3093E+00  1.5163E+00
HC            3564    1.008000    0.040000
 -8.8428E+00 -2.3344E+00 -1.5088E-01
HC            3565    1.008000    0.040000
 -9.7306E+00 -1.0900E+00  6.6153E-01
HC            3566    1.008000    0.040000
 -1.0541E+01 -2.0155E+00 -5.6526E-01
CT            3567   12.011000    0.145000
 -7.5266E+00  1.3068E+01 -1.4518E+01
OH            3568   15.999000   -0.698000
 -7.3340E+00  1.1714E+01 -1.4785E+01
HO            3569    1.008000    0.433000
 -7.9938E+00  1.1383E+01 -1.5379E+01
HC            3570    1.008000    0.040000
 -7.2295E+00  1.3641E+01 -1.5425E+01
HC            3571    1.008000    0.040000
 -6.8261E+00  1.3108E+01 -1.3651E+01
HC            3572    1.008000    0.040000
 -8.6299E+00  1.3211E+01 -1.4313E+01
CT            3573   12.011000    0.145000
  8.2881E+00  2.1150E+00 -2.9379E+00
OH            3574   15.999000   -0.698000
  8.5925E+00  1.9193E+00 -4.3399E+00
HO            3575    1.008000    0.433000
  8.4851E+00  9.7438E-01 -4.3701E+00
HC            3576    1.008000    0.040000
  8.0633E+00  3.2026E+00 -2.8773E+00
HC            3577    1.008000    0.040000
  9.2056E+00  1.9158E+00 -2.4186E+00
HC            3578    1.008000    0.040000
  7.4823E+00  1.3992E+00 -2.6253E+00
CT            3579   12.011000    0.145000
 -6.3725E+00 -6.1148E+00  3.0822E+00
OH            3580   15.999000   -0.698000
 -5.5062E+00 -7.1808E+00  3.3364E+00
HO            3581    1.008000    0.433000
 -6.0186E+00 -7.8959E+00  3.0317E+00
HC            3582    1.008000    0.040000
 -7.2927E+00 -6.0893E+00  3.6702E+00
HC            3583    1.008000    0.040000
 -6.6177E+00 -6.2364E+00  2.0076E+00
HC            3584    1.008000    0.040000
 -5.7387E+00 -5.2378E+00  3.1956E+00
CT            3585   12.011000    0.145000
  1.0029E+01  1.6419E+01 -1.2580E+01
OH            3586   15.999000   -0.698000
  1.0396E+01  1.5200E+01 -1.3048E+01
HO            3587    1.008000    0.433000
  9.5838E+00  1.4704E+01 -1.3242E+01
HC            3588    1.008000    0.040000
  1.0862E+01  1.7140E+01 -1.2754E+01
HC            3589    1.008000    0.040000
  9.7902E+00  1.6340E+01 -1.1508E+01
HC            3590    1.008000    0.040000
  9.0999E+00  1.6813E+01 -1.3068E+01
CT            3591   12.011000    0.145000
  7.3217E+00 -7.7486E+00 -8.9242E+00
OH            3592   15.999000   -0.698000
  6.1233E+00 -8.0675E+00 -9.6407E+00
HO            3593    1.008000    0.433000
  6.4571E+00 -8.4107E+00 -1.0496E+01
HC            3594    1.008000    0.040000
  7.9744E+00 -8.5505E+00 -8.8708E+00
HC            3595    1.008000    0.040000
  7.0733E+00 -7.7144E+00 -7.8343E+00
HC            3596    1.008000    0.040000
  7.8027E+00 -6.8108E+00 -9.1266E+00
CT            3597   12.011000    0.145000
 -3.6504E+00 -2.5498E+00  9.9897E+00
OH            3598   15.999000   -0.698000
 -3.0608E+00 -2.0460E+00  1.1176E+01
HO            3599    1.008000    0.433000
 -3.6280E+00 -1.3035E+00  1.1464E+01
HC            3600    1.008000    0.040000
 -4.6332E+00 -2.9337E+00  1.0323E+01
HC            3601    1.008000    0.040000
 -2.9752E+00 -3.3089E+00  9.6675E+00
HC            3602    1.008000    0.040000
 -3.7615E+00 -1.8234E+00  9.2907E+00
CT            3603   12.011000    0.145000
 -1.1688E+01 -5.1794E+00 -5.9053E+00
OH            3604   15.999000   -0.698000
 -1.2698E+01 -4.1785E+00 -6.1303E+00
HO            3605    1.008000    0.433000
 -1.2364E+01 -3.3497E+00 -5.8053E+00
HC            3606    1.008000    0.040000
 -1.1825E+01 -5.9186E+00 -6.6940E+00
HC            3607    1.008000    0.040000
 -1.1670E+01 -5.6977E+00 -4.9573E+00
HC            3608    1.008000    0.040000
 -1.0760E+01 -4.7198E+00 -6.1395E+00
CT            3609   12.011000    0.145000
 -1.4849E+01  5.5485E+00  1.2483E+01
OH            3610   15.999000   -0.698000
 -1.4637E+01  6.2134E+00  1.1255E+01
HO            3611    1.008000    0.433000
 -1.4026E+01  6.9398E+00  1.1384E+01
HC            3612    1.008000    0.040000
 -1.5155E+01  4.5381E+00  1.2131E+01
HC            3613    1.008000    0.040000
 -1.5638E+01  5.9973E+00  1.2970E+01
HC            3614    1.008000    0.040000
 -1.3927E+01  5.3759E+00  1.3057E+01
CT            3615   12.011000    0.145000
 -2.0887E+00 -6.1143E+00  2.2935E+00
OH            3616   15.999000   -0.698000
 -1.3554E+00 -6.1177E+00  1.1380E+00
HO            3617    1.008000    0.433000
 -7.7530E-01 -5.3973E+00  1.2241E+00
HC            3618    1.008000    0.040000
 -1.5045E+00 -6.5692E+00  3.0846E+00
HC            3619    1.008000    0.040000
 -3.0468E+00 -6.6212E+00  2.3465E+00
HC            3620    1.008000    0.040000
 -2.2719E+00 -5.1113E+00  2.5468E+00
CT            3621   12.011000    0.145000
  1.0870E+01  5.7482E+00  1.3869E+01
OH            3622   15.999000   -0.698000
  9.9876E+00  6.4322E+00  1.4735E+01
HO            3623    1.008000    0.433000
  1.0582E+01  7.1058E+00  1.5140E+01
HC            3624    1.008000    0.040000
  1.0441E+01  4.7407E+00  1.3549E+01
HC            3625    1.008000    0.040000
  1.1853E+01  5.5925E+00  1.4274E+01
HC            3626    1.008000    0.040000
  1.0966E+01  6.4293E+00  1.2967E+01
CT            3627   12.011000    0.145000
  1.3767E+01  5.3136E+00 -1.3443E+01
OH            3628   15.999000   -0.698000
  1.3612E+01  4.0284E+00 -1.2999E+01
HO            3629    1.008000    0.433000
  1.3045E+01  3.6218E+00 -1.3615E+01
HC            3630    1.008000    0.040000
  1.2883E+01  5.7219E+00 -1.3108E+01
HC            3631    1.008000    0.040000
  1.3990E+01  5.4605E+00 -1.4469E+01
HC            3632    1.008000    0.040000
  1.4574E+01  5.7898E+00 -1.2939E+01
CT            3633   12.011000    0.145000
  1.5885E+01 -1.1362E+01  1.4167E+01
OH            3634   15.999000   -0.698000
  1.4776E+01 -1.0464E+01  1.4415E+01
HO            3635    1.008000    0.433000
  1.4112E+01 -1.0967E+01  1.4940E+01
HC            3636    1.008000    0.040000
  1.6004E+01 -1.2184E+01  1.4900E+01
HC            3637    1.008000    0.040000
  1.6810E+01 -1.0832E+01  1.3954E+01
HC            3638    1.008000    0.040000
  1.5686E+01 -1.1915E+01  1.3236E+01
CT            3639   12.011000    0.145000
 -1.4205E+01  1.5993E+01 -1.2291E+01
OH            3640   15.999000   -0.698000
 -1.2974E+01  1.6001E+01 -1.1695E+01
HO            3641    1.008000    0.433000
 -1.2775E+01  1.5147E+01 -1.1350E+01
HC            3642    1.008000    0.040000
 -1.4568E+01  1.7002E+01 -1.2517E+01
HC            3643    1.008000    0.040000
 -1.4871E+01  1.5461E+01 -1.1634E+01
HC            3644    1.008000    0.040000
 -1.4159E+01  1.5516E+01 -1.3314E+01
CT            3645   12.011000    0.145000
  7.2022E+00  1.1312E+01 -3.7427E+00
OH            3646   15.999000   -0.698000
  8.3415E+00  1.1864E+01 -4.2513E+00
HO            3647    1.008000    0.433000
  8.8320E+00  1.1033E+01 -4.4628E+00
HC            3648    1.008000    0.040000
  7.3748E+00  1.0869E+01 -2.7634E+00
HC            3649    1.008000    0.040000
  6.7665E+00  1.0428E+01 -4.2564E+00
HC            3650    1.008000    0.040000
  6.3911E+00  1.2030E+01 -3.5813E+00
CT            3651   12.011000    0.145000
  1.1870E+01 -1.1271E+01 -5.8120E+00
OH            3652   15.999000   -0.698000
  1.1063E+01 -1.0097E+01 -5.9897E+00
HO            3653    1.008000    0.433000
  1.1456E+01 -9.4660E+00 -6.6099E+00
HC            3654    1.008000    0.040000
  1.2599E+01 -1.1444E+01 -6.6244E+00
HC            3655    1.008000    0.040000
  1.1226E+01 -1.2074E+01 -5.4567E+00
HC            3656    1.008000    0.040000
  1.2606E+01 -1.1067E+01 -4.9560E+00
CT            3657   12.011000    0.145000
 -2.2228E-01  8.2648E+00  1.7361E+00
OH            3658   15.999000   -0.698000
 -7.3577E-01  9.4472E+00  2.2643E+00
HO            3659    1.008000    0.433000
 -4.5243E-01  9.6474E+00  3.1831E+00
HC            3660    1.008000    0.040000
 -2.6592E-01  8.3036E+00  6.4449E-01
HC            3661    1.008000    0.040000
 -6.8707E-01  7.3305E+00  2.0264E+00
HC            3662    1.008000    0.040000
  8.6139E-01  8.2794E+00  1.8477E+00
CT            3663   12.011000    0.145000
  1.1602E-01  1.4960E+01 -9.2516E+00
OH            3664   15.999000   -0.698000
  2.9577E-01  1.6114E+01 -1.0011E+01
HO            3665    1.008000    0.433000
  8.4967E-01  1.6694E+01 -9.5056E+00
HC            3666    1.008000    0.040000
 -3.7624E-01  1.4148E+01 -9.7950E+00
HC            3667    1.008000    0.040000
 -5.0666E-01  1.5161E+01 -8.4009E+00
HC            3668    1.008000    0.040000
  1.0938E+00  1.4623E+01 -8.8573E+00
CT            3669   12.011000    0.145000
 -1.5404E+01 -1.3201E+01  5.0242E+00
OH            3670   15.999000   -0.698000
 -1.4881E+01 -1.1987E+01  5.1066E+00
HO            3671    1.008000    0.433000
 -1.4550E+01 -1.1730E+01  4.2736E+00
HC            3672    1.008000    0.040000
 -1.5678E+01 -1.3493E+01  6.0690E+00
HC            3673    1.008000    0.040000
 -1.4728E+01 -1.3926E+01  4.5236E+00
HC            3674    1.008000    0.040000
 -1.6330E+01 -1.3122E+01  4.4041E+00
CT            3675   12.011000    0.145000
  5.8702E+00 -6.3774E+00  5.4975E+00
OH            3676   15.999000   -0.698000
  6.9225E+00 -7.3246E+00  5.6000E+00
HO            3677    1.008000    0.433000
  7.7079E+00 -6.8007E+00  5.6842E+00
HC            3678    1.008000    0.040000
  5.9316E+00 -5.9156E+00  4.4459E+00
HC            3679    1.008000    0.040000
  6.0230E+00 -5.6040E+00  6.2523E+00
HC            3680    1.008000    0.040000
  4.8142E+00 -6.7411E+00  5.6558E+00
CT            3681   12.011000    0.145000
  1.6350E+01  2.5417E-01  6.0989E+00
OH            3682   15.999000   -0.698000
  1.5138E+01  8.6915E-01  6.3365E+00
HO            3683    1.008000    0.433000
  1.5153E+01  1.7159E+00  5.9421E+00
HC            3684    1.008000    0.040000
  1.6532E+01  3.8996E-01  4.9908E+00
HC            3685    1.008000    0.040000
  1.6194E+01 -8.1484E-01  6.3391E+00
HC            3686    1.008000    0.040000
  1.7239E+01  5.6211E-01  6.7369E+00
CT            3687   12.011000    0.145000
  1.2793E+01  1.5196E+01 -5.4689E+00
OH            3688   15.999000   -0.698000
  1.1858E+01  1.4301E+01 -6.1101E+00
HO            3689    1.008000    0.433000
  1.2124E+01  1.4275E+01 -7.0528E+00
HC            3690    1.008000    0.040000
  1.2782E+01  1.6176E+01 -5.9133E+00
HC            3691    1.008000    0.040000
  1.3809E+01  1.4903E+01 -5.5227E+00
HC            3692    1.008000    0.040000
  1.2540E+01  1.5189E+01 -4.4312E+00
CT            3693   12.011000    0.145000
 -3.3490E+00 -1.4705E+01 -1.3369E+00
OH            3694   15.999000   -0.698000
 -3.6167E+00 -1.3370E+01 -1.5548E+00
HO            3695    1.008000    0.433000
 -2.8166E+00 -1.2884E+01 -1.2021E+00
HC            3696    1.008000    0.040000
 -2.2863E+00 -1.4882E+01 -1.4593E+00
HC            3697    1.008000    0.040000
 -4.0174E+00 -1.5367E+01 -1.9029E+00
HC            3698    1.008000    0.040000
 -3.6646E+00 -1.4989E+01 -3.1037E-01
CT            3699   12.011000    0.145000
  7.8932E+00 -3.1831E+00  4.7311E+00
OH            3700   15.999000   -0.698000
  8.3336E+00 -4.4012E+00  4.0565E+00
HO            3701    1.008000    0.433000
  7.9444E+00 -4.3463E+00  3.1896E+00
HC            3702    1.008000    0.040000
  6.9367E+00 -3.3583E+00  5.2301E+00
HC            3703    1.008000    0.040000
  7.8009E+00 -2.3521E+00  4.0254E+00
HC            3704    1.008000    0.040000
  8.6410E+00 -2.8143E+00  5.4060E+00
CT            3705   12.011000    0.145000
  2.8918E+00 -1.3507E+01  2.0734E-01
OH            3706   15.999000   -0.698000
  3.6080E+00 -1.4422E+01  8.9992E-01
HO            3707    1.008000    0.433000
  4.4066E+00 -1.3926E+01  1.1263E+00
HC            3708    1.008000    0.040000
  2.6301E+00 -1.2743E+01  8.6780E-01
HC            3709    1.008000    0.040000
  2.0348E+00 -1.4017E+01 -1.3508E-01
HC            3710    1.008000    0.040000
  3.3065E+00 -1.3047E+01 -6.7461E-01
CT            3711   12.011000    0.145000
 -7.1803E+00 -1.1822E+01 -1.5176E+01
OH            3712   15.999000   -0.698000
 -6.3138E+00 -1.1557E+01 -1.4089E+01
HO            3713    1.008000    0.433000
 -5.3999E+00 -1.1484E+01 -1.4462E+01
HC            3714    1.008000    0.040000
 -7.0345E+00 -1.1089E+01 -1.5934E+01
HC            3715    1.008000    0.040000
 -8.1908E+00 -1.1774E+01 -1.4793E+01
HC            3716    1.008000    0.040000
 -6.9581E+00 -1.2909E+01 -1.5436E+01
CT            3717   12.011000    0.145000
  1.5950E+01  1.0331E+01  2.6805E+00
OH            3718   15.999000   -0.698000
  1.6666E+01  1.0652E+01  1.5179E+00
HO            3719    1.008000    0.433000
  1.6049E+01  1.0756E+01  8.0601E-01
HC            3720    1.008000    0.040000
  1.5074E+01  9.6881E+00  2.4458E+00
HC            3721    1.008000    0.040000
  1.5651E+01  1.1130E+01  3.2855E+00
HC            3722    1.008000    0.040000
  1.6586E+01  9.6980E+00  3.3141E+00
CT            3723   12.011000    0.145000
 -9.2778E+00  9.1580E+00  4.5447E+00
OH            3724   15.999000   -0.698000
 -8.7932E+00  8.4820E+00  5.7131E+00
HO            3725    1.008000    0.433000
 -9.5092E+00  8.4891E+00  6.3422E+00
HC            3726    1.008000    0.040000
 -9.0268E+00  1.0211E+01  4.5495E+00
HC            3727    1.008000    0.040000
 -1.0332E+01  8.9239E+00  4.4033E+00
HC            3728    1.008000    0.040000
 -8.7399E+00  8.6764E+00  3.7102E+00
CT            3729   12.011000    0.145000
  1.5894E+01  1.7899E+00 -9.1281E+00
OH            3730   15.999000   -0.698000
  1.6454E+01  2.0436E+00 -7.8064E+00
HO            3731    1.008000    0.433000
  1.5751E+01  2.6173E+00 -7.3768E+00
HC            3732    1.008000    0.040000
  1.4921E+01  1.2247E+00 -9.0718E+00
HC            3733    1.008000    0.040000
  1.6690E+01  1.2062E+00 -9.6055E+00
HC            3734    1.008000    0.040000
  1.5708E+01  2.6868E+00 -9.6889E+00
CT            3735   12.011000    0.145000
 -6.9718E-01  5.4033E-01 -1.2932E+01
OH            3736   15.999000   -0.698000
  6.6639E-01  1.6233E-01 -1.3115E+01
HO            3737    1.008000    0.433000
  6.0360E-01 -1.8163E-01 -1.3988E+01
HC            3738    1.008000    0.040000
 -1.4250E+00 -2.4780E-01 -1.2844E+01
HC            3739    1.008000    0.040000
 -9.7008E-01  1.1466E+00 -1.3860E+01
HC            3740    1.008000    0.040000
 -8.1604E-01  1.1566E+00 -1.2051E+01
CT            3741   12.011000    0.145000
  3.5389E+00 -1.4550E-01  1.3459E+00
OH            3742   15.999000   -0.698000
  3.2507E+00  3.8436E-01  1.1016E-01
HO            3743    1.008000    0.433000
  3.8719E+00  5.6692E-02 -5.8483E-01
HC            3744    1.008000    0.040000
  3.0954E+00 -1.0857E+00  1.3718E+00
HC            3745    1.008000    0.040000
  3.4291E+00  4.3237E-01  2.2426E+00
HC            3746    1.008000    0.040000
  4.6071E+00 -4.6727E-01  1.3991E+00
CT            3747   12.011000    0.145000
 -1.3267E+01 -2.7649E+00  8.8076E+00
OH            3748   15.999000   -0.698000
 -1.2949E+01 -3.4891E+00  9.9574E+00
HO            3749    1.008000    0.433000
 -1.3703E+01 -3.4707E+00  1.0462E+01
HC            3750    1.008000    0.040000
 -1.3638E+01 -1.7809E+00  9.0936E+00
HC            3751    1.008000    0.040000
 -1.4033E+01 -3.2625E+00  8.2316E+00
HC            3752    1.008000    0.040000
 -1.2367E+01 -2.5776E+00  8.2717E+00
CT            3753   12.011000    0.145000
  1.1572E+01  5.0364E+00  5.2325E+00
OH            3754   15.999000   -0.698000
  1.1405E+01  4.9585E+00  3.8081E+00
HO            3755    1.008000    0.433000
  1.2259E+01  5.2929E+00  3.5320E+00
HC            3756    1.008000    0.040000
  1.1127E+01  6.0724E+00  5.4518E+00
HC            3757    1.008000    0.040000
  1.2608E+01  4.9330E+00  5.5176E+00
HC            3758    1.008000    0.040000
  1.0961E+01  4.2714E+00  5.6883E+00
CT            3759   12.011000    0.145000
  3.1548E+00 -3.4225E+00 -3.0846E+00
OH            3760   15.999000   -0.698000
  2.8636E+00 -2.4247E+00 -2.1586E+00
HO            3761    1.008000    0.433000
  2.7722E+00 -2.9110E+00 -1.3160E+00
HC            3762    1.008000    0.040000
  4.1140E+00 -3.8196E+00 -2.7330E+00
HC            3763    1.008000    0.040000
  3.1587E+00 -3.0685E+00 -4.0603E+00
HC            3764    1.008000    0.040000
  2.3591E+00 -4.2004E+00 -2.9228E+00
CT            3765   12.011000    0.145000
 -5.9427E+00  1.7317E+01 -1.1835E+01
OH            3766   15.999000   -0.698000
 -5.9861E+00  1.7594E+01 -1.0505E+01
HO            3767    1.008000    0.433000
 -5.7958E+00  1.6723E+01 -1.0100E+01
HC            3768    1.008000    0.040000
 -6.5812E+00  1.8041E+01 -1.2325E+01
HC            3769    1.008000    0.040000
 -6.3420E+00  1.6325E+01 -1.2000E+01
HC            3770    1.008000    0.040000
 -4.8916E+00  1.7394E+01 -1.2143E+01
CT            3771   12.011000    0.145000
 -1.1960E+01 -9.2450E-01 -4.1975E+00
OH            3772   15.999000   -0.698000
 -1.1279E+01 -1.9503E+00 -4.8886E+00
HO            3773    1.008000    0.433000
 -1.0579E+01 -2.2919E+00 -4.3307E+00
HC            3774    1.008000    0.040000
 -1.1297E+01 -1.0122E-01 -3.7884E+00
HC            3775    1.008000    0.040000
 -1.2395E+01 -1.3677E+00 -3.3060E+00
HC            3776    1.008000    0.040000
 -1.2755E+01 -4.8551E-01 -4.7173E+00
CT            3777   12.011000    0.145000
 -1.1138E+01  6.2932E+00  1.2831E+01
OH            3778   15.999000   -0.698000
 -1.1010E+01  6.1219E+00  1.1454E+01
HO            3779    1.008000    0.433000
 -1.1537E+01  5.3810E+00  1.1156E+01
HC            3780    1.008000    0.040000
 -1.2178E+01  6.3707E+00  1.3067E+01
HC            3781    1.008000    0.040000
 -1.0461E+01  7.1447E+00  1.3021E+01
HC            3782    1.008000    0.040000
 -1.0738E+01  5.4832E+00  1.3403E+01
CT            3783   12.011000    0.145000
 -1.5709E+00  2.9220E-01  8.3759E+00
OH            3784   15.999000   -0.698000
 -1.3919E+00  1.5408E+00  7.6903E+00
HO            3785    1.008000    0.433000
 -7.6282E-01  1.2967E+00  7.0755E+00
HC            3786    1.008000    0.040000
 -1.6569E+00  4.0676E-01  9.4908E+00
HC            3787    1.008000    0.040000
 -7.4977E-01 -3.3526E-01  8.1456E+00
HC            3788    1.008000    0.040000
 -2.4219E+00 -2.0156E-01  7.9890E+00
CT            3789   12.011000    0.145000
 -7.5303E+00 -9.6241E+00 -7.6007E-01
OH            3790   15.999000   -0.698000
 -7.8407E+00 -8.3252E+00 -3.6855E-01
HO            3791    1.008000    0.433000
 -7.7981E+00 -8.3606E+00  6.2700E-01
HC            3792    1.008000    0.040000
 -7.8422E+00 -1.0346E+01 -8.2754E-03
HC            3793    1.008000    0.040000
 -6.4658E+00 -9.7098E+00 -9.1722E-01
HC            3794    1.008000    0.040000
 -7.9792E+00 -9.8493E+00 -1.7134E+00
CT            3795   12.011000    0.145000
  5.0144E+00 -6.7577E+00 -1.2179E+00
OH            3796   15.999000   -0.698000
  6.3873E+00 -7.1421E+00 -1.1639E+00
HO            3797    1.008000    0.433000
  6.6749E+00 -7.0293E+00 -2.0443E+00
HC            3798    1.008000    0.040000
  4.5417E+00 -6.7861E+00 -2.2578E-01
HC            3799    1.008000    0.040000
  4.5046E+00 -7.5426E+00 -1.8517E+00
HC            3800    1.008000    0.040000
  4.7196E+00 -5.7565E+00 -1.6524E+00
CT            3801   12.011000    0.145000
  1.5802E+01 -1.4008E+01 -1.4015E+01
OH            3802   15.999000   -0.698000
  1.6151E+01 -1.4545E+01 -1.5253E+01
HO            3803    1.008000    0.433000
  1.6210E+01 -1.3879E+01 -1.5950E+01
HC            3804    1.008000    0.040000
  1.6705E+01 -1.3633E+01 -1.3634E+01
HC            3805    1.008000    0.040000
  1.5298E+01 -1.4680E+01 -1.3341E+01
HC            3806    1.008000    0.040000
  1.5163E+01 -1.3189E+01 -1.4267E+01
CT            3807   12.011000    0.145000
 -6.5845E+00  1.1789E+01  1.5135E+01
OH            3808   15.999000   -0.698000
 -5.5119E+00  1.0878E+01  1.5048E+01
HO            3809    1.008000    0.433000
 -5.2789E+00  1.0777E+01  1.5921E+01
HC            3810    1.008000    0.040000
 -6.3452E+00  1.2532E+01  1.5835E+01
HC            3811    1.008000    0.040000
 -7.4681E+00  1.1344E+01  1.5509E+01
HC            3812    1.008000    0.040000
 -6.8618E+00  1.2043E+01  1.4084E+01
CT            3813   12.011000    0.145000
 -7.7585E+00  1.5520E+01  1.6347E+01
OH            3814   15.999000   -0.698000
 -7.3483E+00  1.6480E+01  1.7294E+01
HO            3815    1.008000    0.433000
 -7.9934E+00  1.6400E+01  1.8008E+01
HC            3816    1.008000    0.040000
 -7.0767E+00  1.5558E+01  1.5490E+01
HC            3817    1.008000    0.040000
 -8.7377E+00  1.5868E+01  1.6034E+01
HC            3818    1.008000    0.040000
 -7.7738E+00  1.4448E+01  1.6756E+01
CT            3819   12.011000    0.145000
  3.2982E+00  2.1941E+00 -3.0014E+00
OH            3820   15.999000   -0.698000
  3.1133E+00  8.0240E-01 -2.8999E+00
HO            3821    1.008000    0.433000
  3.8979E+00  3.7506E-01 -2.5033E+00
HC            3822    1.008000    0.040000
  4.1686E+00  2.6014E+00 -3.3566E+00
HC            3823    1.008000    0.040000
  3.0319E+00  2.7182E+00 -2.0850E+00
HC            3824    1.008000    0.040000
  2.4584E+00  2.4409E+00 -3.7302E+00
CT            3825   12.011000    0.145000
  7.6215E+00  9.1699E+00  6.8422E+00
OH            3826   15.999000   -0.698000
  6.8956E+00  7.9959E+00  6.6817E+00
HO            3827    1.008000    0.433000
  6.3728E+00  8.2186E+00  5.8999E+00
HC            3828    1.008000    0.040000
  6.8507E+00  9.9093E+00  7.0262E+00
HC            3829    1.008000    0.040000
  8.1190E+00  9.4990E+00  5.9185E+00
HC            3830    1.008000    0.040000
  8.3142E+00  9.1671E+00  7.8053E+00
CT            3831   12.011000    0.145000
 -1.0074E+01  4.0174E+00  1.6571E+01
OH            3832   15.999000   -0.698000
 -1.0399E+01  5.4012E+00  1.6478E+01
HO            3833    1.008000    0.433000
 -9.6252E+00  5.8589E+00  1.6069E+01
HC            3834    1.008000    0.040000
 -9.1056E+00  3.9677E+00  1.7096E+01
HC            3835    1.008000    0.040000
 -9.7362E+00  3.4822E+00  1.5632E+01
HC            3836    1.008000    0.040000
 -1.0851E+01  3.3937E+00  1.7009E+01
CT            3837   12.011000    0.145000
  1.0544E+01  1.3402E+01 -1.7682E+00
OH            3838   15.999000   -0.698000
  1.0371E+01  1.4786E+01 -2.0039E+00
HO            3839    1.008000    0.433000
  9.8473E+00  1.4752E+01 -2.7775E+00
HC            3840    1.008000    0.040000
  1.1113E+01  1.3138E+01 -9.1787E-01
HC            3841    1.008000    0.040000
  1.1012E+01  1.2975E+01 -2.6709E+00
HC            3842    1.008000    0.040000
  9.5341E+00  1.3028E+01 -1.5622E+00
CT            3843   12.011000    0.145000
 -9.3146E+00 -1.7107E+01  7.0748E+00
OH            3844   15.999000   -0.698000
 -1.0061E+01 -1.7307E+01  8.2999E+00
HO            3845    1.008000    0.433000
 -9.5296E+00 -1.7421E+01  9.0461E+00
HC            3846    1.008000    0.040000
 -9.9738E+00 -1.7164E+01  6.2421E+00
HC            3847    1.008000    0.040000
 -8.5362E+00 -1.7868E+01  7.0006E+00
HC            3848    1.008000    0.040000
 -8.7580E+00 -1.6119E+01  7.0984E+00
CT            3849   12.011000    0.145000
 -1.6355E+01 -1.2508E+01 -1.4678E+01
OH            3850   15.999000   -0.698000
 -1.5279E+01 -1.2519E+01 -1.5595E+01
HO            3851    1.008000    0.433000
 -1.5359E+01 -1.1621E+01 -1.5880E+01
HC            3852    1.008000    0.040000
 -1.6751E+01 -1.3439E+01 -1.4368E+01
HC            3853    1.008000    0.040000
 -1.7197E+01 -1.2004E+01 -1.5100E+01
HC            3854    1.008000    0.040000
 -1.6112E+01 -1.1928E+01 -1.3804E+01
CT            3855   12.011000    0.145000
  3.1766E+00  8.2352E+00  1.4581E+01
OH            3856   15.999000   -0.698000
  2.7729E+00  8.6587E+00  1.3321E+01
HO            3857    1.008000    0.433000
  2.8742E+00  7.8904E+00  1.2815E+01
HC            3858    1.008000    0.040000
  2.5791E+00  7.4420E+00  1.4967E+01
HC            3859    1.008000    0.040000
  3.1828E+00  9.0726E+00  1.5235E+01
HC            3860    1.008000    0.040000
  4.1946E+00  7.7338E+00  1.4428E+01
CT            3861   12.011000    0.145000
 -1.1973E+01  1.2401E+01  4.0191E+00
OH            3862   15.999000   -0.698000
 -1.1785E+01  1.2471E+01  2.6849E+00
HO            3863    1.008000    0.433000
 -1.0807E+01  1.2537E+01  2.5685E+00
HC            3864    1.008000    0.040000
 -1.2861E+01  1.1849E+01  4.3300E+00
HC            3865    1.008000    0.040000
 -1.2210E+01  1.3389E+01  4.4055E+00
HC            3866    1.008000    0.040000
 -1.1167E+01  1.1999E+01  4.5880E+00
CT            3867   12.011000    0.145000
  1.3837E+01  1.7436E+01  8.8277E+00
OH            3868   15.999000   -0.698000
  1.4067E+01  1.6434E+01  7.8112E+00
HO            3869    1.008000    0.433000
  1.4887E+01  1.5996E+01  8.0011E+00
HC            3870    1.008000    0.040000
  1.3121E+01  1.7032E+01  9.5906E+00
HC            3871    1.008000    0.040000
  1.3425E+01 -1.7834E+01  8.4269E+00
HC            3872    1.008000    0.040000
  1.4770E+01  1.7751E+01  9.3253E+00
CT            3873   12.011000    0.145000
 -6.0261E+00 -6.1180E+00 -1.5372E+01
OH            3874   15.999000   -0.698000
 -5.2920E+00 -7.1524E+00 -1.4766E+01
HO            3875    1.008000    0.433000
 -5.8642E+00 -7.7043E+00 -1.4219E+01
HC            3876    1.008000    0.040000
 -5.3139E+00 -5.3869E+00 -1.5850E+01
HC            3877    1.008000    0.040000
 -6.6317E+00 -5.6223E+00 -1.4638E+01
HC            3878    1.008000    0.040000
 -6.7972E+00 -6.5295E+00 -1.6011E+01
CT            3879   12.011000    0.145000
  1.4117E+01  4.9245E+00  1.8015E+00
OH            3880   15.999000   -0.698000
  1.4227E+01  5.0328E+00  3.2602E+00
HO            3881    1.008000    0.433000
  1.4731E+01  5.7782E+00  3.4960E+00
HC            3882    1.008000    0.040000
  1.4976E+01  4.4079E+00  1.4307E+00
HC            3883    1.008000    0.040000
  1.4008E+01  5.9738E+00  1.4282E+00
HC            3884    1.008000    0.040000
  1.3157E+01  4.4653E+00  1.4655E+00
CT            3885   12.011000    0.145000
 -1.0694E+01  1.0167E+01  1.3740E+01
OH            3886   15.999000   -0.698000
 -1.1705E+01  9.5047E+00  1.4420E+01
HO            3887    1.008000    0.433000
 -1.1524E+01  9.3923E+00  1.5323E+01
HC            3888    1.008000    0.040000
 -1.1193E+01  1.0642E+01  1.2852E+01
HC            3889    1.008000    0.040000
 -1.0023E+01  9.4246E+00  1.3303E+01
HC            3890    1.008000    0.040000
 -1.0248E+01  1.0868E+01  1.4403E+01
CT            3891   12.011000    0.145000
 -1.6305E+01 -9.5119E+00 -6.9312E+00
OH            3892   15.999000   -0.698000
 -1.6955E+01 -9.3438E+00 -5.6686E+00
HO            3893    1.008000    0.433000
 -1.7623E+01 -8.7622E+00 -5.8613E+00
HC            3894    1.008000    0.040000
 -1.7022E+01 -1.0190E+01 -7.4871E+00
HC            3895    1.008000    0.040000
 -1.5426E+01 -1.0094E+01 -6.6940E+00
HC            3896    1.008000    0.040000
 -1.6025E+01 -8.6181E+00 -7.4525E+00
CT            3897   12.011000    0.145000
 -1.4729E+01  1.4351E+01 -8.7061E+00
OH            3898   15.999000   -0.698000
 -1.5905E+01  1.4602E+01 -8.0417E+00
HO            3899    1.008000    0.433000
 -1.6151E+01  1.3797E+01 -7.6190E+00
HC            3900    1.008000    0.040000
 -1.4187E+01  1.3570E+01 -8.1723E+00
HC            3901    1.008000    0.040000
 -1.3989E+01  1.5224E+01 -8.7464E+00
HC            3902    1.008000    0.040000
 -1.4930E+01  1.4060E+01 -9.7494E+00
CT            3903   12.011000    0.145000
 -2.6331E+00  1.2571E+01  6.5159E+00
OH            3904   15.999000   -0.698000
 -1.6172E+00  1.2524E+01  5.5351E+00
HO            3905    1.008000    0.433000
 -1.5236E+00  1.3354E+01  5.0797E+00
HC            3906    1.008000    0.040000
 -2.2606E+00  1.1848E+01  7.2366E+00
HC            3907    1.008000    0.040000
 -3.6254E+00  1.2351E+01  6.0846E+00
HC            3908    1.008000    0.040000
 -2.7735E+00  1.3525E+01  7.0573E+00
CT            3909   12.011000    0.145000
  1.0287E+01 -7.4631E+00  2.3257E+00
OH            3910   15.999000   -0.698000
  9.7112E+00 -8.2478E+00  1.3694E+00
HO            3911    1.008000    0.433000
  1.0334E+01 -8.9828E+00  1.2530E+00
HC            3912    1.008000    0.040000
  1.0445E+01 -7.9480E+00  3.3057E+00
HC            3913    1.008000    0.040000
  9.6596E+00 -6.5958E+00  2.4368E+00
HC            3914    1.008000    0.040000
  1.1291E+01 -7.2137E+00  2.0518E+00
CT            3915   12.011000    0.145000
 -4.4952E+00  1.4958E+01  3.6420E+00
OH            3916   15.999000   -0.698000
 -5.7413E+00  1.5025E+01  3.0197E+00
HO            3917    1.008000    0.433000
 -5.8030E+00  1.4347E+01  2.3588E+00
HC            3918    1.008000    0.040000
 -4.6038E+00  1.5281E+01  4.6865E+00
HC            3919    1.008000    0.040000
 -3.6768E+00  1.5544E+01  3.2975E+00
HC            3920    1.008000    0.040000
 -4.2144E+00  1.3932E+01  3.5525E+00
CT            3921   12.011000    0.145000
 -9.2921E+00  5.6133E+00  8.5048E+00
OH            3922   15.999000   -0.698000
 -9.9358E+00  4.3277E+00  8.5648E+00
HO            3923    1.008000    0.433000
 -1.0728E+01  4.4096E+00  9.2004E+00
HC            3924    1.008000    0.040000
 -8.3536E+00  5.6723E+00  7.9688E+00
HC            3925    1.008000    0.040000
 -9.0810E+00  5.9756E+00  9.5404E+00
HC            3926    1.008000    0.040000
 -9.9729E+00  6.3338E+00  7.9770E+00
CT            3927   12.011000    0.145000
 -1.7046E+01 -1.2589E+01 -1.0213E+01
OH            3928   15.999000   -0.698000
 -1.5707E+01 -1.2060E+01 -1.0226E+01
HO            3929    1.008000    0.433000
 -1.5730E+01 -1.1340E+01 -1.0886E+01
HC            3930    1.008000    0.040000
 -1.7111E+01 -1.3313E+01 -9.4532E+00
HC            3931    1.008000    0.040000
 -1.7118E+01 -1.3077E+01 -1.1146E+01
HC            3932    1.008000    0.040000
 -1.7864E+01 -1.1847E+01 -1.0133E+01
CT            3933   12.011000    0.145000
  1.3101E+01  6.0603E+00  1.0305E+01
OH            3934   15.999000   -0.698000
  1.3356E+01  5.8202E+00  8.9238E+00
HO            3935    1.008000    0.433000
  1.3034E+01  4.9201E+00  8.8595E+00
HC            3936    1.008000    0.040000
  1.1998E+01  6.1733E+00  1.0433E+01
HC            3937    1.008000    0.040000
  1.3390E+01  7.0508E+00  1.0599E+01
HC            3938    1.008000    0.040000
  1.3506E+01  5.3014E+00  1.1027E+01
CT            3939   12.011000    0.145000
 -9.9301E+00 -2.5812E+00  1.4245E+01
OH            3940   15.999000   -0.698000
 -1.1001E+01 -1.7621E+00  1.4019E+01
HO            3941    1.008000    0.433000
 -1.1016E+01 -1.5390E+00  1.3118E+01
HC            3942    1.008000    0.040000
 -1.0056E+01 -3.5165E+00  1.3690E+01
HC            3943    1.008000    0.040000
 -9.7652E+00 -2.7974E+00  1.5328E+01
HC            3944    1.008000    0.040000
 -9.0145E+00 -2.0536E+00  1.3855E+01
CT            3945   12.011000    0.145000
  5.7677E-01  6.7040E+00 -1.6260E+01
OH            3946   15.999000   -0.698000
  1.5626E+00  5.7242E+00 -1.5950E+01
HO            3947    1.008000    0.433000
  1.1156E+00  5.0803E+00 -1.5410E+01
HC            3948    1.008000    0.040000
  3.8126E-01  7.1497E+00 -1.5299E+01
HC            3949    1.008000    0.040000
 -3.2381E-01  6.1096E+00 -1.6553E+01
HC            3950    1.008000    0.040000
  9.1127E-01  7.4649E+00 -1.7007E+01
CT            3951   12.011000    0.145000
  1.6057E+01  7.9809E+00 -7.7726E+00
OH            3952   15.999000   -0.698000
  1.6438E+01  9.1293E+00 -6.9391E+00
HO            3953    1.008000    0.433000
  1.6907E+01  8.7839E+00 -6.1532E+00
HC            3954    1.008000    0.040000
  1.5280E+01  7.4066E+00 -7.3019E+00
HC            3955    1.008000    0.040000
  1.6937E+01  7.3572E+00 -7.8509E+00
HC            3956    1.008000    0.040000
  1.5794E+01  8.2564E+00 -8.7321E+00
CT            3957   12.011000    0.145000
 -1.5121E+01 -1.3835E+01 -1.2463E+00
OH            3958   15.999000   -0.698000
 -1.6358E+01 -1.3243E+01 -1.4090E+00
HO            3959    1.008000    0.433000
 -1.6367E+01 -1.2879E+01 -2.2704E+00
HC            3960    1.008000    0.040000
 -1.5270E+01 -1.4499E+01 -3.5942E-01
HC            3961    1.008000    0.040000
 -1.4314E+01 -1.3056E+01 -9.9240E-01
HC            3962    1.008000    0.040000
 -1.4823E+01 -1.4303E+01 -2.1153E+00
CT            3963   12.011000    0.145000
  1.3582E+00 -1.6692E+01  3.0581E+00
OH            3964   15.999000   -0.698000
  1.4815E+00 -1.5319E+01  3.1200E+00
HO            3965    1.008000    0.433000
  2.2895E+00 -1.5063E+01  2.7702E+00
HC            3966    1.008000    0.040000
  2.0321E+00 -1.7254E+01  3.6615E+00
HC            3967    1.008000    0.040000
  1.4952E+00 -1.7310E+01  2.1449E+00
HC            3968    1.008000    0.040000
  3.6785E-01 -1.7067E+01  3.3573E+00
CT            3969   12.011000    0.145000
  3.6466E+00  8.1670E+00 -1.5011E+01
OH            3970   15.999000   -0.698000
  3.7776E+00  7.3941E+00 -1.6244E+01
HO            3971    1.008000    0.433000
  3.0535E+00  6.7843E+00 -1.6256E+01
HC            3972    1.008000    0.040000
  4.1804E+00  9.1005E+00 -1.4955E+01
HC            3973    1.008000    0.040000
  3.7173E+00  7.5697E+00 -1.4118E+01
HC            3974    1.008000    0.040000
  2.6191E+00  8.5760E+00 -1.4932E+01
CT            3975   12.011000    0.145000
  3.1343E+00  1.3220E+01 -2.8506E+00
OH            3976   15.999000   -0.698000
  3.4720E+00  1.2597E+01 -4.0653E+00
HO            3977    1.008000    0.433000
  3.7667E+00  1.3220E+01 -4.7209E+00
HC            3978    1.008000    0.040000
  2.5222E+00  1.4179E+01 -2.8500E+00
HC            3979    1.008000    0.040000
  4.0775E+00  1.3514E+01 -2.5061E+00
HC            3980    1.008000    0.040000
  2.6432E+00  1.2581E+01 -2.1582E+00
CT            3981   12.011000    0.145000
 -1.4969E+01  1.3495E+01  8.6881E+00
OH            3982   15.999000   -0.698000
 -1.5205E+01  1.2303E+01  9.3189E+00
HO            3983    1.008000    0.433000
 -1.4989E+01  1.1580E+01  8.7011E+00
HC            3984    1.008000    0.040000
 -1.5727E+01  1.3448E+01  7.8083E+00
HC            3985    1.008000    0.040000
 -1.3899E+01  1.3431E+01  8.3408E+00
HC            3986    1.008000    0.040000
 -1.4982E+01  1.4432E+01  9.2345E+00
CT            3987   12.011000    0.145000
  2.0333E+00  1.7475E+01 -3.9262E+00
OH            3988   15.999000   -0.698000
  2.0497E+00  1.8063E+01 -2.6356E+00
HO            3989    1.008000    0.433000
  1.1351E+00 -1.8000E+01 -2.4543E+00
HC            3990    1.008000    0.040000
  1.6703E+00  1.6396E+01 -3.7886E+00
HC            3991    1.008000    0.040000
  3.0099E+00  1.7338E+01 -4.4221E+00
HC            3992    1.008000    0.040000
  1.3057E+00  1.8039E+01 -4.5795E+00
CT            3993   12.011000    0.145000
  4.8079E+00 -1.5282E+01 -1.2208E+01
OH            3994   15.999000   -0.698000
  5.7960E+00 -1.5318E+01 -1.1294E+01
HO            3995    1.008000    0.433000
  6.2760E+00 -1.6147E+01 -1.1440E+01
HC            3996    1.008000    0.040000
  4.3384E+00 -1.4280E+01 -1.2286E+01
HC            3997    1.008000    0.040000
  4.1367E+00 -1.6136E+01 -1.2009E+01
HC            3998    1.008000    0.040000
  5.2874E+00 -1.5460E+01 -1.3238E+01
CT            3999   12.011000    0.145000
  5.8232E+00  9.8998E+00 -1.2589E+01
OH            4000   15.999000   -0.698000
  5.4570E+00  9.4956E+00 -1.1223E+01
HO            4001    1.008000    0.433000
  6.1076E+00  8.8295E+00 -1.1085E+01
HC            4002    1.008000    0.040000
  5.1459E+00  1.0634E+01 -1.2951E+01
HC            4003    1.008000    0.040000
  5.7009E+00  9.0478E+00 -1.3249E+01
HC            4004    1.008000    0.040000
  6.9150E+00  1.0189E+01 -1.2640E+01
CT            4005   12.011000    0.145000
  5.7245E+00  4.2945E+00 -5.4734E-01
OH            4006   15.999000   -0.698000
  5.3653E+00  4.5689E+00  7.9852E-01
HO            4007    1.008000    0.433000
  4.7000E+00  3.9079E+00  9.5900E-01
HC            4008    1.008000    0.040000
  5.0821E+00  3.5533E+00 -1.0021E+00
HC            4009    1.008000    0.040000
  6.7723E+00  3.9274E+00 -5.3351E-01
HC            4010    1.008000    0.040000
  5.4630E+00  5.1349E+00 -1.1947E+00
CT            4011   12.011000    0.145000
 -5.0485E+00  1.7708E+00  5.9832E+00
OH            4012   15.999000   -0.698000
 -4.7960E+00  1.2799E+00  4.6982E+00
HO            4013    1.008000    0.433000
 -4.2756E+00  1.9828E+00  4.2513E+00
HC            4014    1.008000    0.040000
 -4.1185E+00  2.3369E+00  6.3742E+00
HC            4015    1.008000    0.040000
 -5.1098E+00  8.8689E-01  6.6209E+00
HC            4016    1.008000    0.040000
 -6.0444E+00  2.3273E+00  5.9875E+00
CT            4017   12.011000    0.145000
 -1.7385E+01  9.5676E+00  7.7481E+00
OH            4018   15.999000   -0.698000
  1.7462E+01  9.5110E+00  7.4490E+00
HO            4019    1.008000    0.433000
  1.6982E+01  9.3253E+00  8.2638E+00
HC            4020    1.008000    0.040000
 -1.6885E+01  8.6055E+00  7.7264E+00
HC            4021    1.008000    0.040000
 -1.7235E+01  1.0149E+01  8.6533E+00
HC            4022    1.008000    0.040000
 -1.6859E+01  1.0029E+01  6.9314E+00
CT            4023   12.011000    0.145000
 -1.2567E+01 -6.2001E+00  1.4296E+01
OH            4024   15.999000   -0.698000
 -1.2407E+01 -7.4704E+00  1.3738E+01
HO            4025    1.008000    0.433000
 -1.1977E+01 -7.9392E+00  1.4460E+01
HC            4026    1.008000    0.040000
 -1.3307E+01 -6.1983E+00  1.5102E+01
HC            4027    1.008000    0.040000
 -1.3046E+01 -5.6982E+00  1.3424E+01
HC            4028    1.008000    0.040000
 -1.1588E+01 -5.8274E+00  1.4549E+01
CT            4029   12.011000    0.145000
  9.8113E+00  1.0048E+01 -2.5517E-01
OH            4030   15.999000   -0.698000
  9.1195E+00  1.0598E+01  8.3453E-01
HO            4031    1.008000    0.433000
  9.7264E+00  1.1179E+01  1.2733E+00
HC            4032    1.008000    0.040000
  9.3852E+00  1.0446E+01 -1.2099E+00
HC            4033    1.008000    0.040000
  9.6770E+00  9.0011E+00 -2.0576E-01
HC            4034    1.008000    0.040000
  1.0848E+01  1.0385E+01 -1.6844E-01
CT            4035   12.011000    0.145000
 -4.0294E+00  1.3696E+01  1.6919E+01
OH            4036   15.999000   -0.698000
 -3.7403E+00  1.4875E+01  1.6126E+01
HO            4037    1.008000    0.433000
 -3.9334E+00  1.4650E+01  1.5235E+01
HC            4038    1.008000    0.040000
 -4.9788E+00  1.3808E+01  1.7571E+01
HC            4039    1.008000    0.040000
 -3.1635E+00  1.3711E+01  1.7659E+01
HC            4040    1.008000    0.040000
 -4.0433E+00  1.2865E+01  1.6184E+01
CT            4041   12.011000    0.145000
  1.2451E+01 -1.1056E+01 -1.5086E+01
OH            4042   15.999000   -0.698000
  1.3656E+01 -1.0303E+01 -1.5136E+01
HO            4043    1.008000    0.433000
  1.3406E+01 -9.4838E+00 -1.5601E+01
HC            4044    1.008000    0.040000
  1.2540E+01 -1.2075E+01 -1.5425E+01
HC            4045    1.008000    0.040000
  1.1655E+01 -1.0497E+01 -1.5621E+01
HC            4046    1.008000    0.040000
  1.2166E+01 -1.1160E+01 -1.4091E+01
CT            4047   12.011000    0.145000
  1.6855E+01 -1.5760E+01 -9.3489E+00
OH            4048   15.999000   -0.698000
  1.5971E+01 -1.6702E+01 -8.6673E+00
HO            4049    1.008000    0.433000
  1.6408E+01 -1.7045E+01 -7.8816E+00
HC            4050    1.008000    0.040000
  1.7074E+01 -1.5007E+01 -8.6464E+00
HC            4051    1.008000    0.040000
  1.6397E+01 -1.5225E+01 -1.0183E+01
HC            4052    1.008000    0.040000
  1.7701E+01 -1.6382E+01 -9.7477E+00
CT            4053   12.011000    0.145000
 -1.1636E+01 -1.7166E+01 -1.2642E+01
OH            4054   15.999000   -0.698000
 -1.2278E+01 -1.7542E+01 -1.1439E+01
HO            4055    1.008000    0.433000
 -1.2348E+01  1.7737E+01 -1.1486E+01
HC            4056    1.008000    0.040000
 -1.0666E+01 -1.7770E+01 -1.2700E+01
HC            4057    1.008000    0.040000
 -1.1470E+01 -1.6128E+01 -1.2685E+01
HC            4058    1.008000    0.040000
 -1.2128E+01 -1.7414E+01 -1.3583E+01
CT            4059   12.011000    0.145000
  6.3440E+00 -7.7856E+00 -4.7788E+00
OH            4060   15.999000   -0.698000
  7.2148E+00 -7.4461E+00 -3.7123E+00
HO            4061    1.008000    0.433000
  7.9365E+00 -8.1653E+00 -3.7953E+00
HC            4062    1.008000    0.040000
  6.8041E+00 -7.2441E+00 -5.6359E+00
HC            4063    1.008000    0.040000
  5.2920E+00 -7.4578E+00 -4.6002E+00
HC            4064    1.008000    0.040000
  6.3416E+00 -8.8699E+00 -4.9268E+00
CT            4065   12.011000    0.145000
 -1.4205E+01  1.1022E+01 -6.2835E+00
OH            4066   15.999000   -0.698000
 -1.5425E+01  1.0635E+01 -5.6845E+00
HO            4067    1.008000    0.433000
 -1.6061E+01  1.1380E+01 -5.9047E+00
HC            4068    1.008000    0.040000
 -1.3750E+01  1.1746E+01 -5.6566E+00
HC            4069    1.008000    0.040000
 -1.4510E+01  1.1576E+01 -7.1538E+00
HC            4070    1.008000    0.040000
 -1.3564E+01  1.0189E+01 -6.5146E+00
CT            4071   12.011000    0.145000
  1.4555E+01  6.6067E+00  1.5714E+01
OH            4072   15.999000   -0.698000
  1.5018E+01  6.2095E+00  1.7031E+01
HO            4073    1.008000    0.433000
  1.4332E+01  5.7197E+00  1.7502E+01
HC            4074    1.008000    0.040000
  1.3452E+01  6.7970E+00  1.5763E+01
HC            4075    1.008000    0.040000
  1.4874E+01  5.7139E+00  1.5064E+01
HC            4076    1.008000    0.040000
  1.5063E+01  7.4757E+00  1.5269E+01
CT            4077   12.011000    0.145000
  1.2525E+00 -7.1203E+00  4.7486E+00
OH            4078   15.999000   -0.698000
  1.0887E+00 -5.7280E+00  4.3798E+00
HO            4079    1.008000    0.433000
  1.4432E+00 -5.6293E+00  3.5183E+00
HC            4080    1.008000    0.040000
  2.2741E+00 -7.2745E+00  5.0811E+00
HC            4081    1.008000    0.040000
  1.0145E+00 -7.7451E+00  3.9184E+00
HC            4082    1.008000    0.040000
  7.2770E-01 -7.3174E+00  5.6244E+00
CT            4083   12.011000    0.145000
 -6.2705E+00 -1.0011E+00 -1.2703E+01
OH            4084   15.999000   -0.698000
 -4.9590E+00 -3.3478E-01 -1.2887E+01
HO            4085    1.008000    0.433000
 -4.2574E+00 -9.3074E-01 -1.2527E+01
HC            4086    1.008000    0.040000
 -7.0571E+00 -2.7129E-01 -1.3089E+01
HC            4087    1.008000    0.040000
 -6.3783E+00 -1.1841E+00 -1.1675E+01
HC            4088    1.008000    0.040000
 -6.1794E+00 -1.9672E+00 -1.3265E+01
CT            4089   12.011000    0.145000
 -7.8442E+00 -8.2344E-02  3.5451E+00
OH            4090   15.999000   -0.698000
 -7.9252E+00  7.2970E-01  2.4602E+00
HO            4091    1.008000    0.433000
 -8.6303E+00  1.4062E+00  2.5738E+00
HC            4092    1.008000    0.040000
 -7.5547E+00 -1.1151E+00  3.3495E+00
HC            4093    1.008000    0.040000
 -8.7938E+00 -1.8275E-01  3.9826E+00
HC            4094    1.008000    0.040000
 -7.3370E+00  4.5826E-01  4.3408E+00
CT            4095   12.011000    0.145000
 -3.1531E+00 -1.7226E+01  1.1335E+01
OH            4096   15.999000   -0.698000
 -3.4026E+00 -1.6383E+01  1.0251E+01
HO            4097    1.008000    0.433000
 -3.5537E+00 -1.6844E+01  9.3923E+00
HC            4098    1.008000    0.040000
 -2.1720E+00 -1.7678E+01  1.1335E+01
HC            4099    1.008000    0.040000
 -3.9598E+00 -1.8030E+01  1.1294E+01
HC            4100    1.008000    0.040000
 -3.2933E+00 -1.6697E+01  1.2264E+01
CT            4101   12.011000    0.145000
 -3.6170E+00  1.4066E+01 -9.1201E+00
OH            4102   15.999000   -0.698000
 -4.4250E+00  1.3125E+01 -8.4902E+00
HO            4103    1.008000    0.433000
 -4.1245E+00  1.2269E+01 -8.7558E+00
HC            4104    1.008000    0.040000
 -3.9918E+00  1.5078E+01 -9.1213E+00
HC            4105    1.008000    0.040000
 -3.3801E+00  1.3621E+01 -1.0075E+01
HC            4106    1.008000    0.040000
 -2.7995E+00  1.4040E+01 -8.5210E+00
CT            4107   12.011000    0.145000
  1.5291E+01 -1.5350E+01  1.3344E+01
OH            4108   15.999000   -0.698000
  1.5098E+01 -1.6796E+01  1.3395E+01
HO            4109    1.008000    0.433000
  1.5155E+01 -1.7052E+01  1.4281E+01
HC            4110    1.008000    0.040000
  1.5667E+01 -1.5000E+01  1.2334E+01
HC            4111    1.008000    0.040000
  1.5891E+01 -1.4981E+01  1.4204E+01
HC            4112    1.008000    0.040000
  1.4289E+01 -1.4939E+01  1.3456E+01
CT            4113   12.011000    0.145000
  1.2179E+00 -3.8541E+00 -1.1921E+01
OH            4114   15.999000   -0.698000
  1.7478E+00 -4.0522E+00 -1.3200E+01
HO            4115    1.008000    0.433000
  1.0569E+00 -4.2960E+00 -1.3742E+01
HC            4116    1.008000    0.040000
  2.0067E+00 -3.9240E+00 -1.1152E+01
HC            4117    1.008000    0.040000
  4.2434E-01 -4.5870E+00 -1.1806E+01
HC            4118    1.008000    0.040000
  7.6159E-01 -2.8728E+00 -1.1769E+01
CT            4119   12.011000    0.145000
 -5.1322E+00  4.8407E+00  1.6437E+01
OH            4120   15.999000   -0.698000
 -4.5392E+00  3.9576E+00  1.7244E+01
HO            4121    1.008000    0.433000
 -4.4780E+00  3.0100E+00  1.6920E+01
HC            4122    1.008000    0.040000
 -6.1336E+00  4.9570E+00  1.6769E+01
HC            4123    1.008000    0.040000
 -5.2098E+00  4.4832E+00  1.5374E+01
HC            4124    1.008000    0.040000
 -4.6886E+00  5.8582E+00  1.6369E+01
CT            4125   12.011000    0.145000
  1.2175E+01 -1.5969E+01 -1.5813E+01
OH            4126   15.999000   -0.698000
  1.3327E+01 -1.6081E+01 -1.5010E+01
HO            4127    1.008000    0.433000
  1.4087E+01 -1.5983E+01 -1.5510E+01
HC            4128    1.008000    0.040000
  1.2375E+01 -1.6554E+01 -1.6648E+01
HC            4129    1.008000    0.040000
  1.2070E+01 -1.4965E+01 -1.6118E+01
HC            4130    1.008000    0.040000
  1.1194E+01 -1.6210E+01 -1.5336E+01
CT            4131   12.011000    0.145000
 -5.8957E+00  8.4898E+00 -3.0360E+00
OH            4132   15.999000   -0.698000
 -5.2558E+00  9.0781E+00 -4.1208E+00
HO            4133    1.008000    0.433000
 -4.8344E+00  8.3922E+00 -4.6649E+00
HC            4134    1.008000    0.040000
 -5.2485E+00  8.4683E+00 -2.1923E+00
HC            4135    1.008000    0.040000
 -6.3115E+00  7.5164E+00 -3.2667E+00
HC            4136    1.008000    0.040000
 -6.7898E+00  9.0980E+00 -2.9130E+00
CT            4137   12.011000    0.145000
  1.1308E+01  1.3290E+01  1.4683E+01
OH            4138   15.999000   -0.698000
  1.1916E+01  1.3748E+01  1.3468E+01
HO            4139    1.008000    0.433000
  1.2842E+01  1.3514E+01  1.3531E+01
HC            4140    1.008000    0.040000
  1.1583E+01  1.3940E+01  1.5473E+01
HC            4141    1.008000    0.040000
  1.1775E+01  1.2353E+01  1.4966E+01
HC            4142    1.008000    0.040000
  1.0294E+01  1.3139E+01  1.4598E+01
CT            4143   12.011000    0.145000
 -1.5867E+01  1.1570E+01 -1.3594E+01
OH            4144   15.999000   -0.698000
 -1.6205E+01  1.2617E+01 -1.2703E+01
HO            4145    1.008000    0.433000
 -1.6124E+01  1.2265E+01 -1.1796E+01
HC            4146    1.008000    0.040000
 -1.6718E+01  1.1314E+01 -1.4235E+01
HC            4147    1.008000    0.040000
 -1.5416E+01  1.0785E+01 -1.3003E+01
HC            4148    1.008000    0.040000
 -1.4988E+01  1.1866E+01 -1.4283E+01
CT            4149   12.011000    0.145000
  7.8850E-01  1.0024E+01  9.5606E+00
OH            4150   15.999000   -0.698000
  2.0378E+00  1.0658E+01  9.5519E+00
HO            4151    1.008000    0.433000
  2.6572E+00  9.9146E+00  9.7735E+00
HC            4152    1.008000    0.040000
  5.4750E-01  9.4269E+00  1.0443E+01
HC            4153    1.008000    0.040000
  5.2012E-01  9.3520E+00  8.6499E+00
HC            4154    1.008000    0.040000
 -4.0660E-02  1.0613E+01  9.4290E+00
CT            4155   12.011000    0.145000
  7.1017E+00  4.0979E+00  1.5613E+01
OH            4156   15.999000   -0.698000
  8.4396E+00  4.4562E+00  1.6013E+01
HO            4157    1.008000    0.433000
  8.6960E+00  5.2004E+00  1.5460E+01
HC            4158    1.008000    0.040000
  6.8383E+00  3.2221E+00  1.6171E+01
HC            4159    1.008000    0.040000
  6.9235E+00  3.9470E+00  1.4565E+01
HC            4160    1.008000    0.040000
  6.3754E+00  4.8903E+00  1.5826E+01
CT            4161   12.011000    0.145000
  8.1608E+00  1.2026E+01  4.1409E+00
OH            4162   15.999000   -0.698000
  7.5117E+00  1.1364E+01  3.0579E+00
HO            4163    1.008000    0.433000
  8.1109E+00  1.0989E+01  2.3275E+00
HC            4164    1.008000    0.040000
  8.5037E+00  1.3041E+01  3.8350E+00
HC            4165    1.008000    0.040000
  9.0193E+00  1.1458E+01  4.5205E+00
HC            4166    1.008000    0.040000
  7.3912E+00  1.2201E+01  4.8547E+00
CT            4167   12.011000    0.145000
  1.2316E+01  6.1124E-01 -3.2905E+00
OH            4168   15.999000   -0.698000
  1.1182E+01 -1.3357E-02 -2.7389E+00
HO            4169    1.008000    0.433000
  1.0557E+01 -1.6758E-01 -3.4264E+00
HC            4170    1.008000    0.040000
  1.2346E+01  1.6819E+00 -3.1831E+00
HC            4171    1.008000    0.040000
  1.2474E+01  4.0540E-01 -4.3420E+00
HC            4172    1.008000    0.040000
  1.3262E+01  3.2895E-01 -2.7756E+00
CT            4173   12.011000    0.145000
 -2.8596E+00  1.1538E+01  2.4658E+00
OH            4174   15.999000   -0.698000
 -4.2309E+00  1.1878E+01  2.5212E+00
HO            4175    1.008000    0.433000
 -4.6672E+00  1.1055E+01  2.7000E+00
HC            4176    1.008000    0.040000
 -2.7156E+00  1.1020E+01  1.5456E+00
HC            4177    1.008000    0.040000
 -2.6681E+00  1.0926E+01  3.3570E+00
HC            4178    1.008000    0.040000
 -2.2678E+00  1.2486E+01  2.5640E+00
CT            4179   12.011000    0.145000
 -4.2673E+00  6.7304E+00 -9.9627E+00
OH            4180   15.999000   -0.698000
 -4.8262E+00  5.5774E+00 -9.4273E+00
HO            4181    1.008000    0.433000
 -4.0816E+00  5.1863E+00 -8.9309E+00
HC            4182    1.008000    0.040000
 -3.5489E+00  7.2370E+00 -9.3397E+00
HC            4183    1.008000    0.040000
 -5.1173E+00  7.3517E+00 -1.0075E+01
HC            4184    1.008000    0.040000
 -3.8083E+00  6.4851E+00 -1.0917E+01
CT            4185   12.011000    0.145000
  6.0929E+00 -4.8050E+00  1.3415E+01
OH            4186   15.999000   -0.698000
  5.3034E+00 -4.0557E+00  1.2518E+01
HO            4187    1.008000    0.433000
  4.5782E+00 -4.6096E+00  1.2299E+01
HC            4188    1.008000    0.040000
  6.4143E+00 -5.7590E+00  1.2996E+01
HC            4189    1.008000    0.040000
  5.5807E+00 -4.9940E+00  1.4418E+01
HC            4190    1.008000    0.040000
  6.9512E+00 -4.2002E+00  1.3600E+01
CT            4191   12.011000    0.145000
 -1.0622E+01 -1.4398E-01 -1.2186E+01
OH            4192   15.999000   -0.698000
 -1.1383E+01  4.8507E-01 -1.3209E+01
HO            4193    1.008000    0.433000
 -1.1622E+01 -1.7430E-01 -1.3775E+01
HC            4194    1.008000    0.040000
 -9.8546E+00 -7.3726E-01 -1.2680E+01
HC            4195    1.008000    0.040000
 -1.1294E+01 -7.5598E-01 -1.1605E+01
HC            4196    1.008000    0.040000
 -1.0214E+01  6.9644E-01 -1.1581E+01
CT            4197   12.011000    0.145000
 -3.4880E+00  2.9288E+00 -1.5861E+01
OH            4198   15.999000   -0.698000
 -3.1679E+00  3.7247E+00 -1.4713E+01
HO            4199    1.008000    0.433000
 -3.7721E+00  3.3838E+00 -1.4002E+01
HC            4200    1.008000    0.040000
 -4.4625E+00  3.0588E+00 -1.6215E+01
HC            4201    1.008000    0.040000
 -3.3487E+00  1.9055E+00 -1.5665E+01
HC            4202    1.008000    0.040000
 -2.7962E+00  3.2115E+00 -1.6644E+01
CT            4203   12.011000    0.145000
  6.0212E+00  1.1482E+01 -1.5749E+01
OH            4204   15.999000   -0.698000
  7.2507E+00  1.2055E+01 -1.5296E+01
HO            4205    1.008000    0.433000
  7.9537E+00  1.1443E+01 -1.5629E+01
HC            4206    1.008000    0.040000
  5.2982E+00  1.1993E+01 -1.5230E+01
HC            4207    1.008000    0.040000
  5.9918E+00  1.0402E+01 -1.5650E+01
HC            4208    1.008000    0.040000
  5.9292E+00  1.1637E+01 -1.6835E+01
CT            4209   12.011000    0.145000
  7.4970E+00 -3.6774E+00 -1.5200E+01
OH            4210   15.999000   -0.698000
  7.7475E+00 -4.0982E+00 -1.3927E+01
HO            4211    1.008000    0.433000
  6.8492E+00 -3.8784E+00 -1.3485E+01
HC            4212    1.008000    0.040000
  6.7986E+00 -2.8910E+00 -1.5164E+01
HC            4213    1.008000    0.040000
  6.8548E+00 -4.3637E+00 -1.5852E+01
HC            4214    1.008000    0.040000
  8.3859E+00 -3.2273E+00 -1.5732E+01
CT            4215   12.011000    0.145000
  1.3309E+01 -5.2413E+00  4.0610E-02
OH            4216   15.999000   -0.698000
  1.3000E+01 -4.8029E+00 -1.2805E+00
HO            4217    1.008000    0.433000
  1.2541E+01 -3.9646E+00 -1.1607E+00
HC            4218    1.008000    0.040000
  1.3547E+01 -4.2873E+00  5.9742E-01
HC            4219    1.008000    0.040000
  1.4234E+01 -5.8191E+00 -4.7105E-02
HC            4220    1.008000    0.040000
  1.2584E+01 -5.8310E+00  5.4963E-01
CT            4221   12.011000    0.145000
 -9.6176E+00 -7.7435E+00 -1.4892E+01
OH            4222   15.999000   -0.698000
 -8.5972E+00 -8.4410E+00 -1.5518E+01
HO            4223    1.008000    0.433000
 -7.8936E+00 -8.5973E+00 -1.4867E+01
HC            4224    1.008000    0.040000
 -1.0576E+01 -8.1084E+00 -1.5122E+01
HC            4225    1.008000    0.040000
 -9.4849E+00 -6.6719E+00 -1.5157E+01
HC            4226    1.008000    0.040000
 -9.5184E+00 -7.8117E+00 -1.3795E+01
CT            4227   12.011000    0.145000
  1.1652E+01 -7.8996E+00 -2.4718E+00
OH            4228   15.999000   -0.698000
  1.1759E+01 -9.2794E+00 -2.6729E+00
HO            4229    1.008000    0.433000
  1.0931E+01 -9.4963E+00 -3.0753E+00
HC            4230    1.008000    0.040000
  1.2377E+01 -7.5862E+00 -1.6277E+00
HC            4231    1.008000    0.040000
  1.0642E+01 -7.6267E+00 -2.1814E+00
HC            4232    1.008000    0.040000
  1.1807E+01 -7.3833E+00 -3.4342E+00
CT            4233   12.011000    0.145000
  7.7184E+00  9.0128E+00  1.7035E+01
OH            4234   15.999000   -0.698000
  6.6209E+00  8.6813E+00  1.6258E+01
HO            4235    1.008000    0.433000
  6.8302E+00  8.8450E+00  1.5317E+01
HC            4236    1.008000    0.040000
  8.5142E+00  8.1940E+00  1.7018E+01
HC            4237    1.008000    0.040000
  7.4833E+00  9.0095E+00  1.8090E+01
HC            4238    1.008000    0.040000
  8.1608E+00  9.9161E+00  1.6722E+01
CT            4239   12.011000    0.145000
  5.4287E+00  1.2620E+01  6.3303E-01
OH            4240   15.999000   -0.698000
  5.3710E+00  1.3186E+01  1.9509E+00
HO            4241    1.008000    0.433000
  6.0506E+00  1.2630E+01  2.4419E+00
HC            4242    1.008000    0.040000
  4.7129E+00  1.1861E+01  5.6715E-01
HC            4243    1.008000    0.040000
  6.3674E+00  1.2167E+01  5.2043E-01
HC            4244    1.008000    0.040000
  5.3465E+00  1.3283E+01 -2.3653E-01
CT            4245   12.011000    0.145000
 -5.2440E+00  7.7029E-01  1.5463E+01
OH            4246   15.999000   -0.698000
 -4.7115E+00  1.1004E+00  1.6726E+01
HO            4247    1.008000    0.433000
 -4.5410E+00  2.2836E-01  1.7128E+01
HC            4248    1.008000    0.040000
 -5.0882E+00 -2.6827E-01  1.5108E+01
HC            4249    1.008000    0.040000
 -4.9246E+00  1.5308E+00  1.4719E+01
HC            4250    1.008000    0.040000
 -6.3921E+00  8.1267E-01  1.5695E+01
CT            4251   12.011000    0.145000
 -4.7577E+00  1.8048E+01 -7.4027E+00
OH            4252   15.999000   -0.698000
 -5.5836E+00 -1.7207E+01 -6.7621E+00
HO            4253    1.008000    0.433000
 -5.6879E+00 -1.7406E+01 -5.7990E+00
HC            4254    1.008000    0.040000
 -4.8501E+00 -1.7971E+01 -8.4732E+00
HC            4255    1.008000    0.040000
 -5.0718E+00  1.7027E+01 -7.2712E+00
HC            4256    1.008000    0.040000
 -3.6663E+00  1.8106E+01 -7.1126E+00
CT            4257   12.011000    0.145000
 -9.9377E+00  1.4404E+00 -1.3858E+00
OH            4258   15.999000   -0.698000
 -8.5808E+00  1.3278E+00 -1.8319E+00
HO            4259    1.008000    0.433000
 -8.4482E+00  4.8436E-01 -2.1652E+00
HC            4260    1.008000    0.040000
 -1.0031E+01  9.3562E-01 -4.0315E-01
HC            4261    1.008000    0.040000
 -1.0702E+01  1.1379E+00 -2.1694E+00
HC            4262    1.008000    0.040000
 -1.0173E+01  2.4898E+00 -1.2193E+00
CT            4263   12.011000    0.145000
 -6.3395E+00  6.7524E+00 -1.3598E+01
OH            4264   15.999000   -0.698000
 -5.8832E+00  7.5659E+00 -1.4633E+01
HO            4265    1.008000    0.433000
 -4.9376E+00  7.4133E+00 -1.4850E+01
HC            4266    1.008000    0.040000
 -5.8164E+00  6.8987E+00 -1.2653E+01
HC            4267    1.008000    0.040000
 -6.1316E+00  5.7221E+00 -1.3915E+01
HC            4268    1.008000    0.040000
 -7.4172E+00  6.7913E+00 -1.3383E+01
CT            4269   12.011000    0.145000
  2.3219E+00  4.4418E+00  1.7062E+01
OH            4270   15.999000   -0.698000
  3.4208E+00  4.3605E+00  1.6192E+01
HO            4271    1.008000    0.433000
  3.8272E+00  5.2332E+00  1.6250E+01
HC            4272    1.008000    0.040000
  2.2547E+00  3.3899E+00  1.7417E+01
HC            4273    1.008000    0.040000
  1.4006E+00  4.6412E+00  1.6560E+01
HC            4274    1.008000    0.040000
  2.4298E+00  5.2131E+00  1.7826E+01
CT            4275   12.011000    0.145000
 -6.1586E+00 -3.6084E+00  1.3893E+01
OH            4276   15.999000   -0.698000
 -6.7417E+00 -4.8293E+00  1.3432E+01
HO            4277    1.008000    0.433000
 -7.1473E+00 -4.5436E+00  1.2614E+01
HC            4278    1.008000    0.040000
 -5.6899E+00 -3.7997E+00  1.4902E+01
HC            4279    1.008000    0.040000
 -6.8697E+00 -2.6800E+00  1.4079E+01
HC            4280    1.008000    0.040000
 -5.4505E+00 -3.1937E+00  1.3162E+01
CT            4281   12.011000    0.145000
 -1.2942E+01 -8.6183E+00 -7.1564E+00
OH            4282   15.999000   -0.698000
 -1.2356E+01 -9.1134E+00 -8.3256E+00
HO            4283    1.008000    0.433000
 -1.1759E+01 -9.7994E+00 -8.1449E+00
HC            4284    1.008000    0.040000
 -1.3835E+01 -8.0675E+00 -7.3293E+00
HC            4285    1.008000    0.040000
 -1.2253E+01 -8.0587E+00 -6.5595E+00
HC            4286    1.008000    0.040000
 -1.3151E+01 -9.4721E+00 -6.4623E+00
CT            4287   12.011000    0.145000
 -6.5687E-01 -4.1150E+00 -4.1147E+00
OH            4288   15.999000   -0.698000
 -7.3228E-01 -3.9088E+00 -2.7233E+00
HO            4289    1.008000    0.433000
 -9.5333E-01 -4.7168E+00 -2.2853E+00
HC            4290    1.008000    0.040000
 -8.8607E-03 -4.9243E+00 -4.4951E+00
HC            4291    1.008000    0.040000
 -2.0698E-01 -3.2034E+00 -4.5746E+00
HC            4292    1.008000    0.040000
 -1.6242E+00 -4.1196E+00 -4.5713E+00
CT            4293   12.011000    0.145000
 -1.6158E+01  1.3075E+00 -8.4010E+00
OH            4294   15.999000   -0.698000
 -1.5690E+01  2.4132E+00 -7.6312E+00
HO            4295    1.008000    0.433000
 -1.5506E+01  2.0772E+00 -6.7230E+00
HC            4296    1.008000    0.040000
 -1.5368E+01  6.2563E-01 -8.6124E+00
HC            4297    1.008000    0.040000
 -1.6705E+01  1.6176E+00 -9.2404E+00
HC            4298    1.008000    0.040000
 -1.6962E+01  8.4367E-01 -7.7742E+00
CT            4299   12.011000    0.145000
 -7.2250E+00  2.0710E+00 -1.6955E+01
OH            4300   15.999000   -0.698000
 -8.6124E+00  1.9488E+00 -1.6969E+01
HO            4301    1.008000    0.433000
 -8.9479E+00  2.3146E+00 -1.6171E+01
HC            4302    1.008000    0.040000
 -6.7846E+00  1.4215E+00 -1.7759E+01
HC            4303    1.008000    0.040000
 -6.8148E+00  1.7688E+00 -1.6021E+01
HC            4304    1.008000    0.040000
 -6.9429E+00  3.1633E+00 -1.7118E+01
CT            4305   12.011000    0.145000
 -1.3073E+01 -1.2951E+01  1.6996E+01
OH            4306   15.999000   -0.698000
 -1.2484E+01 -1.4069E+01  1.6330E+01
HO            4307    1.008000    0.433000
 -1.1871E+01 -1.4334E+01  1.7008E+01
HC            4308    1.008000    0.040000
 -1.3611E+01 -1.2455E+01  1.6216E+01
HC            4309    1.008000    0.040000
 -1.2438E+01 -1.2211E+01  1.7503E+01
HC            4310    1.008000    0.040000
 -1.3658E+01 -1.3214E+01  1.7819E+01
CT            4311   12.011000    0.145000
 -3.3738E+00 -3.7178E+00 -1.2539E+01
OH            4312   15.999000   -0.698000
 -3.3004E+00 -2.4518E+00 -1.1899E+01
HO            4313    1.008000    0.433000
 -2.9866E+00 -2.5248E+00 -1.1001E+01
HC            4314    1.008000    0.040000
 -2.3945E+00 -4.2086E+00 -1.2590E+01
HC            4315    1.008000    0.040000
 -3.7396E+00 -3.6664E+00 -1.3572E+01
HC            4316    1.008000    0.040000
 -4.1759E+00 -4.2868E+00 -1.2075E+01
CT            4317   12.011000    0.145000
 -6.0788E+00 -2.0463E+00  1.7517E+01
OH            4318   15.999000   -0.698000
 -7.3573E+00 -2.1877E+00  1.6923E+01
HO            4319    1.008000    0.433000
 -7.9834E+00 -1.5394E+00  1.7226E+01
HC            4320    1.008000    0.040000
 -5.8720E+00 -2.7991E+00 -1.7947E+01
HC            4321    1.008000    0.040000
 -6.0322E+00 -1.0365E+00  1.8021E+01
HC            4322    1.008000    0.040000
 -5.2423E+00 -2.1147E+00  1.6777E+01
CT            4323   12.011000    0.145000
 -4.3264E+00 -1.0117E+01  1.1858E+00
OH            4324   15.999000   -0.698000
 -5.5133E+00 -1.0913E+01  1.3424E+00
HO            4325    1.008000    0.433000
 -6.1975E+00 -1.0336E+01  1.7462E+00
HC            4326    1.008000    0.040000
 -3.4393E+00 -1.0691E+01  1.1075E+00
HC            4327    1.008000    0.040000
 -4.2603E+00 -9.3905E+00  2.0057E+00
HC            4328    1.008000    0.040000
 -4.3292E+00 -9.4836E+00  2.9562E-01
CT            4329   12.011000    0.145000
 -1.4912E+01 -3.9866E+00  2.2138E+00
OH            4330   15.999000   -0.698000
 -1.5189E+01 -5.3803E+00  2.4360E+00
HO            4331    1.008000    0.433000
 -1.5026E+01 -5.4035E+00  3.3834E+00
HC            4332    1.008000    0.040000
 -1.4509E+01 -3.6363E+00  1.2902E+00
HC            4333    1.008000    0.040000
 -1.4137E+01 -3.6994E+00  2.9713E+00
HC            4334    1.008000    0.040000
 -1.5621E+01 -3.2327E+00  2.5434E+00
CT            4335   12.011000    0.145000
  1.3732E+01  1.1691E+01  9.0234E+00
OH            4336   15.999000   -0.698000
  1.4318E+01  1.1685E+01  1.0348E+01
HO            4337    1.008000    0.433000
  1.4257E+01  1.2620E+01  1.0656E+01
HC            4338    1.008000    0.040000
  1.4183E+01  1.2406E+01  8.3464E+00
HC            4339    1.008000    0.040000
  1.2601E+01  1.1784E+01  9.0175E+00
HC            4340    1.008000    0.040000
  1.3988E+01  1.0711E+01  8.5584E+00
CT            4341   12.011000    0.145000
 -2.5817E+00  1.6214E+01  8.6891E+00
OH            4342   15.999000   -0.698000
 -2.8829E+00  1.7573E+01  8.5657E+00
HO            4343    1.008000    0.433000
 -2.5861E+00  1.7764E+01  7.6238E+00
HC            4344    1.008000    0.040000
 -1.5143E+00  1.6095E+01  8.3352E+00
HC            4345    1.008000    0.040000
 -3.2047E+00  1.5580E+01  8.0472E+00
HC            4346    1.008000    0.040000
 -2.5909E+00  1.5780E+01  9.7397E+00
CT            4347   12.011000    0.145000
  1.1765E-01  1.4813E+00  2.9490E+00
OH            4348   15.999000   -0.698000
 -7.8739E-01  1.3860E+00  4.0612E+00
HO            4349    1.008000    0.433000
 -1.5741E+00  1.0407E+00  3.6962E+00
HC            4350    1.008000    0.040000
 -2.8150E-01  1.2766E+00  1.9874E+00
HC            4351    1.008000    0.040000
  9.0045E-01  7.6154E-01  3.1254E+00
HC            4352    1.008000    0.040000
  6.3084E-01  2.4827E+00  2.9982E+00
CT            4353   12.011000    0.145000
  7.3171E+00  2.2968E+00  7.1055E+00
OH            4354   15.999000   -0.698000
  6.6211E+00  1.0865E+00  7.3026E+00
HO            4355    1.008000    0.433000
  7.2488E+00  4.4094E-01  7.6274E+00
HC            4356    1.008000    0.040000
  8.3662E+00  2.2423E+00  6.6964E+00
HC            4357    1.008000    0.040000
  7.3101E+00  2.8200E+00  8.0830E+00
HC            4358    1.008000    0.040000
  6.8046E+00  2.9914E+00  6.4591E+00
CT            4359   12.011000    0.145000
 -1.2685E+01 -8.8765E+00  1.7988E+01
OH            4360   15.999000   -0.698000
 -1.2918E+01 -9.8860E+00  1.7001E+01
HO            4361    1.008000    0.433000
 -1.3822E+01 -9.7393E+00  1.6634E+01
HC            4362    1.008000    0.040000
 -1.3488E+01 -8.8485E+00 -1.7503E+01
HC            4363    1.008000    0.040000
 -1.2565E+01 -7.8734E+00  1.7551E+01
HC            4364    1.008000    0.040000
 -1.1800E+01 -9.2411E+00 -1.7733E+01
CT            4365   12.011000    0.145000
  1.0282E+01 -1.5206E+01 -8.3698E-01
OH            4366   15.999000   -0.698000
  1.1031E+01 -1.6382E+01 -7.5786E-01
HO            4367    1.008000    0.433000
  1.1899E+01 -1.6033E+01 -8.1983E-01
HC            4368    1.008000    0.040000
  1.0594E+01 -1.4704E+01 -1.7213E+00
HC            4369    1.008000    0.040000
  1.0521E+01 -1.4442E+01 -4.2013E-02
HC            4370    1.008000    0.040000
  9.2411E+00 -1.5372E+01 -9.0544E-01
CT            4371   12.011000    0.145000
 -5.7214E+00  1.0227E+01 -8.1152E+00
OH            4372   15.999000   -0.698000
 -5.9250E+00  9.9922E+00 -9.4962E+00
HO            4373    1.008000    0.433000
 -5.0980E+00  1.0199E+01 -9.9168E+00
HC            4374    1.008000    0.040000
 -6.0400E+00  1.1182E+01 -7.8396E+00
HC            4375    1.008000    0.040000
 -4.6877E+00  1.0010E+01 -7.9144E+00
HC            4376    1.008000    0.040000
 -6.3281E+00  9.4994E+00 -7.6307E+00
CT            4377   12.011000    0.145000
 -6.0474E+00 -5.2001E+00 -7.2981E+00
OH            4378   15.999000   -0.698000
 -6.1549E+00 -6.5191E+00 -6.8147E+00
HO            4379    1.008000    0.433000
 -6.8993E+00 -6.6989E+00 -6.1790E+00
HC            4380    1.008000    0.040000
 -7.1256E+00 -4.8813E+00 -7.3479E+00
HC            4381    1.008000    0.040000
 -5.5892E+00 -4.9915E+00 -8.2445E+00
HC            4382    1.008000    0.040000
 -5.7311E+00 -4.4678E+00 -6.5827E+00
CT            4383   12.011000    0.145000
  5.0586E+00  5.3644E+00 -9.8540E+00
OH            4384   15.999000   -0.698000
  4.2286E+00  6.3928E+00 -9.4899E+00
HO            4385    1.008000    0.433000
  4.0846E+00  6.2643E+00 -8.6028E+00
HC            4386    1.008000    0.040000
  4.4574E+00  4.5362E+00 -1.0100E+01
HC            4387    1.008000    0.040000
  5.8719E+00  5.1662E+00 -9.0645E+00
HC            4388    1.008000    0.040000
  5.6786E+00  5.6236E+00 -1.0723E+01
CT            4389   12.011000    0.145000
  1.1001E+01 -9.7597E+00 -1.1314E+01
OH            4390   15.999000   -0.698000
  1.0832E+01 -8.6984E+00 -1.2135E+01
HO            4391    1.008000    0.433000
  1.0985E+01 -7.9509E+00 -1.1551E+01
HC            4392    1.008000    0.040000
  1.2081E+01 -9.9374E+00 -1.1326E+01
HC            4393    1.008000    0.040000
  1.0512E+01 -1.0689E+01 -1.1653E+01
HC            4394    1.008000    0.040000
  1.0818E+01 -9.5486E+00 -1.0320E+01
CT            4395   12.011000    0.145000
 -1.3089E+01 -1.6392E+01 -1.6267E+01
OH            4396   15.999000   -0.698000
 -1.2093E+01 -1.5402E+01 -1.6006E+01
HO            4397    1.008000    0.433000
 -1.2324E+01 -1.4962E+01 -1.5144E+01
HC            4398    1.008000    0.040000
 -1.2920E+01 -1.7139E+01 -1.5438E+01
HC            4399    1.008000    0.040000
 -1.3078E+01 -1.6828E+01 -1.7288E+01
HC            4400    1.008000    0.040000
 -1.3965E+01 -1.5795E+01 -1.6119E+01
CT            4401   12.011000    0.145000
  1.4422E+01 -1.3980E+01 -4.9751E+00
OH            4402   15.999000   -0.698000
  1.4234E+01 -1.5308E+01 -4.4694E+00
HO            4403    1.008000    0.433000
  1.3969E+01 -1.5950E+01 -5.1996E+00
HC            4404    1.008000    0.040000
  1.5022E+01 -1.4132E+01 -5.9205E+00
HC            4405    1.008000    0.040000
  1.4942E+01 -1.3456E+01 -4.2140E+00
HC            4406    1.008000    0.040000
  1.3444E+01 -1.3552E+01 -5.2222E+00
CT            4407   12.011000    0.145000
 -8.3018E+00 -1.0048E+01  1.7695E+01
OH            4408   15.999000   -0.698000
 -9.0738E+00 -8.9406E+00 -1.8079E+01
HO            4409    1.008000    0.433000
 -8.9317E+00 -8.8816E+00 -1.7141E+01
HC            4410    1.008000    0.040000
 -8.6447E+00 -1.0361E+01  1.6675E+01
HC            4411    1.008000    0.040000
 -8.5393E+00 -1.0786E+01 -1.7779E+01
HC            4412    1.008000    0.040000
 -7.1938E+00 -9.9226E+00  1.7636E+01
CT            4413   12.011000    0.145000
 -7.2557E+00 -9.3806E+00  5.9922E+00
OH            4414   15.999000   -0.698000
 -7.6487E+00 -1.0233E+01  4.9023E+00
HO            4415    1.008000    0.433000
 -8.0324E+00 -1.1030E+01  5.2953E+00
HC            4416    1.008000    0.040000
 -8.1012E+00 -8.9695E+00  6.2906E+00
HC            4417    1.008000    0.040000
 -6.6030E+00 -8.6361E+00  5.6592E+00
HC            4418    1.008000    0.040000
 -6.8091E+00 -9.9549E+00  6.8541E+00
CT            4419   12.011000    0.145000
  6.3301E+00 -1.4439E+01  2.3478E+00
OH            4420   15.999000   -0.698000
  6.1550E+00 -1.3118E+01  1.6862E+00
HO            4421    1.008000    0.433000
  7.1032E+00 -1.2804E+01  1.4320E+00
HC            4422    1.008000    0.040000
  5.4197E+00 -1.4907E+01  2.6121E+00
HC            4423    1.008000    0.040000
  6.6878E+00 -1.4154E+01  3.3422E+00
HC            4424    1.008000    0.040000
  7.0398E+00 -1.5041E+01  1.7077E+00
CT            4425   12.011000    0.145000
  1.7943E+00  2.0491E+00  8.7703E+00
OH            4426   15.999000   -0.698000
  2.9578E+00  1.2671E+00  8.3037E+00
HO            4427    1.008000    0.433000
  3.2500E+00  7.4993E-01  9.1109E+00
HC            4428    1.008000    0.040000
  2.0407E+00  2.5721E+00  9.7007E+00
HC            4429    1.008000    0.040000
  1.0135E+00  1.3333E+00  8.9492E+00
HC            4430    1.008000    0.040000
  1.5529E+00  2.7312E+00  8.0330E+00
CT            4431   12.011000    0.145000
 -1.2728E+01  1.0756E+01 -1.0773E+01
OH            4432   15.999000   -0.698000
 -1.3410E+01  1.0891E+01 -9.5376E+00
HO            4433    1.008000    0.433000
 -1.2892E+01  1.1434E+01 -8.9576E+00
HC            4434    1.008000    0.040000
 -1.3070E+01  9.8871E+00 -1.1343E+01
HC            4435    1.008000    0.040000
 -1.1688E+01  1.0541E+01 -1.0543E+01
HC            4436    1.008000    0.040000
 -1.2858E+01  1.1646E+01 -1.1491E+01
CT            4437   12.011000    0.145000
  4.5517E+00 -5.1693E+00 -9.7691E+00
OH            4438   15.999000   -0.698000
  4.2884E+00 -6.1927E+00 -8.8467E+00
HO            4439    1.008000    0.433000
  4.9042E+00 -6.9209E+00 -8.9693E+00
HC            4440    1.008000    0.040000
  5.6537E+00 -4.9475E+00 -9.6615E+00
HC            4441    1.008000    0.040000
  4.0230E+00 -4.1859E+00 -9.7053E+00
HC            4442    1.008000    0.040000
  4.3550E+00 -5.6852E+00 -1.0708E+01
CT            4443   12.011000    0.145000
 -7.2168E+00  1.6254E+01 -2.5242E+00
OH            4444   15.999000   -0.698000
 -6.0195E+00  1.5697E+01 -1.9843E+00
HO            4445    1.008000    0.433000
 -5.7652E+00  1.5134E+01 -2.7515E+00
HC            4446    1.008000    0.040000
 -6.8294E+00  1.6889E+01 -3.3479E+00
HC            4447    1.008000    0.040000
 -7.8131E+00  1.6785E+01 -1.6940E+00
HC            4448    1.008000    0.040000
 -7.9208E+00  1.5468E+01 -2.9522E+00
CT            4449   12.011000    0.145000
  7.0568E+00  7.9598E+00  2.5866E+00
OH            4450   15.999000   -0.698000
  6.0643E+00  8.3427E+00  3.5764E+00
HO            4451    1.008000    0.433000
  5.4376E+00  7.6055E+00  3.5497E+00
HC            4452    1.008000    0.040000
  6.5862E+00  7.7728E+00  1.5823E+00
HC            4453    1.008000    0.040000
  7.6926E+00  7.0076E+00  2.8627E+00
HC            4454    1.008000    0.040000
  7.7326E+00  8.7996E+00  2.4226E+00
CT            4455   12.011000    0.145000
 -1.8107E+01 -8.5112E+00  1.4387E+01
OH            4456   15.999000   -0.698000
 -1.6975E+01 -7.8069E+00  1.3933E+01
HO            4457    1.008000    0.433000
 -1.6755E+01 -7.9970E+00  1.3017E+01
HC            4458    1.008000    0.040000
  1.7229E+01 -8.1933E+00  1.3859E+01
HC            4459    1.008000    0.040000
  1.8009E+01 -8.1620E+00  1.5409E+01
HC            4460    1.008000    0.040000
 -1.7808E+01 -9.5196E+00  1.4334E+01
CT            4461   12.011000    0.145000
  1.5582E+01  1.2103E+01 -5.3348E+00
OH            4462   15.999000   -0.698000
  1.4819E+01  1.1077E+01 -5.9677E+00
HO            4463    1.008000    0.433000
  1.5402E+01  1.0332E+01 -6.0990E+00
HC            4464    1.008000    0.040000
  1.6062E+01  1.2750E+01 -6.0770E+00
HC            4465    1.008000    0.040000
  1.6218E+01  1.1527E+01 -4.6412E+00
HC            4466    1.008000    0.040000
  1.4948E+01  1.2862E+01 -4.9170E+00
CT            4467   12.011000    0.145000
  1.4883E+01 -1.5275E+01  1.6745E+01
OH            4468   15.999000   -0.698000
  1.5314E+01 -1.6581E+01  1.6419E+01
HO            4469    1.008000    0.433000
  1.5837E+01 -1.6905E+01  1.7142E+01
HC            4470    1.008000    0.040000
  1.4170E+01 -1.4903E+01  1.5937E+01
HC            4471    1.008000    0.040000
  1.5648E+01 -1.4496E+01  1.6957E+01
HC            4472    1.008000    0.040000
  1.4314E+01 -1.5317E+01  1.7638E+01
CT            4473   12.011000    0.145000
 -1.5050E+01 -1.7303E+01 -3.8060E+00
OH            4474   15.999000   -0.698000
 -1.6200E+01  1.8119E+01 -4.1048E+00
HO            4475    1.008000    0.433000
 -1.5726E+01  1.7395E+01 -4.6285E+00
HC            4476    1.008000    0.040000
 -1.5307E+01 -1.6541E+01 -3.1340E+00
HC            4477    1.008000    0.040000
 -1.4541E+01 -1.6893E+01 -4.7313E+00
HC            4478    1.008000    0.040000
 -1.4218E+01 -1.7884E+01 -3.3084E+00
CT            4479   12.011000    0.145000
 -8.9136E-01  1.3950E+01  1.4002E+01
OH            4480   15.999000   -0.698000
  5.4704E-02  1.3273E+01  1.4771E+01
HO            4481    1.008000    0.433000
  8.3413E-01  1.3092E+01  1.4236E+01
HC            4482    1.008000    0.040000
 -1.2487E+00  1.3347E+01  1.3214E+01
HC            4483    1.008000    0.040000
 -4.4072E-01  1.4757E+01  1.3629E+01
HC            4484    1.008000    0.040000
 -1.6374E+00  1.4416E+01  1.4619E+01
CT            4485   12.011000    0.145000
 -6.0842E+00  1.4115E+01 -5.7878E+00
OH            4486   15.999000   -0.698000
 -6.5977E+00  1.3952E+01 -7.0907E+00
HO            4487    1.008000    0.433000
 -5.9390E+00  1.3682E+01 -7.7145E+00
HC            4488    1.008000    0.040000
 -5.9227E+00  1.3116E+01 -5.4885E+00
HC            4489    1.008000    0.040000
 -6.7997E+00  1.4576E+01 -5.1269E+00
HC            4490    1.008000    0.040000
 -5.1242E+00  1.4724E+01 -5.7633E+00
CT            4491   12.011000    0.145000
  1.0919E+01 -2.1886E+00  3.2424E+00
OH            4492   15.999000   -0.698000
  1.1107E+01 -3.4741E+00  3.8087E+00
HO            4493    1.008000    0.433000
  1.0240E+01 -3.8293E+00  3.8955E+00
HC            4494    1.008000    0.040000
  1.1837E+01 -1.5859E+00  3.3780E+00
HC            4495    1.008000    0.040000
  1.0050E+01 -1.6655E+00  3.6523E+00
HC            4496    1.008000    0.040000
  1.0827E+01 -2.2979E+00  2.1717E+00
CT            4497   12.011000    0.145000
 -1.0805E+01  1.7883E+01  1.6344E+01
OH            4498   15.999000   -0.698000
 -1.0191E+01 -1.7635E+01  1.7356E+01
HO            4499    1.008000    0.433000
 -9.7230E+00  1.8000E+01  1.7992E+01
HC            4500    1.008000    0.040000
 -1.1752E+01 -1.7928E+01  1.6042E+01
HC            4501    1.008000    0.040000
 -1.1085E+01  1.6946E+01  1.6761E+01
HC            4502    1.008000    0.040000
 -1.0272E+01  1.7929E+01  1.5350E+01
CT            4503   12.011000    0.145000
 -8.0579E+00  3.9781E+00  1.3019E+01
OH            4504   15.999000   -0.698000
 -7.4816E+00  5.3165E+00  1.3384E+01
HO            4505    1.008000    0.433000
 -7.1625E+00  5.7728E+00  1.2612E+01
HC            4506    1.008000    0.040000
 -7.6548E+00  3.5889E+00  1.2112E+01
HC            4507    1.008000    0.040000
 -9.1422E+00  3.9831E+00  1.3070E+01
HC            4508    1.008000    0.040000
 -7.5830E+00  3.2586E+00  1.3714E+01
CT            4509   12.011000    0.145000
 -1.0750E+01 -6.0529E+00  1.6678E+00
OH            4510   15.999000   -0.698000
 -1.1830E+01 -6.9960E+00  1.6744E+00
HO            4511    1.008000    0.433000
 -1.2375E+01 -6.7263E+00  9.6532E-01
HC            4512    1.008000    0.040000
 -1.1090E+01 -5.0031E+00  1.5808E+00
HC            4513    1.008000    0.040000
 -9.9272E+00 -6.3994E+00  9.2435E-01
HC            4514    1.008000    0.040000
 -1.0261E+01 -6.0757E+00  2.6067E+00
CT            4515   12.011000    0.145000
 -3.8571E-01 -1.1368E+01 -7.7197E-01
OH            4516   15.999000   -0.698000
 -1.4683E+00 -1.2267E+01 -4.8536E-01
HO            4517    1.008000    0.433000
 -1.3117E+00 -1.2727E+01  3.4780E-01
HC            4518    1.008000    0.040000
 -5.6487E-01 -1.0430E+01 -2.9298E-01
HC            4519    1.008000    0.040000
 -2.7080E-01 -1.1153E+01 -1.8064E+00
HC            4520    1.008000    0.040000
  5.1716E-01 -1.1749E+01 -3.2138E-01
CT            4521   12.011000    0.145000
 -1.7598E+01 -7.5072E+00 -1.0153E+01
OH            4522   15.999000   -0.698000
 -1.7831E+01 -8.4204E+00 -1.1183E+01
HO            4523    1.008000    0.433000
  1.7583E+01 -8.8118E+00 -1.0955E+01
HC            4524    1.008000    0.040000
  1.7975E+01 -6.6207E+00 -1.0231E+01
HC            4525    1.008000    0.040000
 -1.6559E+01 -7.2311E+00 -1.0197E+01
HC            4526    1.008000    0.040000
 -1.7685E+01 -7.8934E+00 -9.1256E+00
CT            4527   12.011000    0.145000
 -7.8623E+00 -4.6382E+00 -1.1850E+01
OH            4528   15.999000   -0.698000
 -7.8383E+00 -3.2703E+00 -1.1371E+01
HO            4529    1.008000    0.433000
 -7.2350E+00 -3.2479E+00 -1.0596E+01
HC            4530    1.008000    0.040000
 -8.5787E+00 -4.8607E+00 -1.2641E+01
HC            4531    1.008000    0.040000
 -8.2312E+00 -5.2783E+00 -1.1037E+01
HC            4532    1.008000    0.040000
 -6.8689E+00 -4.9083E+00 -1.2077E+01
CT            4533   12.011000    0.145000
 -9.3479E+00  9.2587E+00 -1.3559E+01
OH            4534   15.999000   -0.698000
 -1.0597E+01  9.6605E+00 -1.2969E+01
HO            4535    1.008000    0.433000
 -1.0770E+01  9.1160E+00 -1.2175E+01
HC            4536    1.008000    0.040000
 -9.3011E+00  8.1625E+00 -1.3601E+01
HC            4537    1.008000    0.040000
 -8.6496E+00  9.6438E+00 -1.2828E+01
HC            4538    1.008000    0.040000
 -9.0526E+00  9.6317E+00 -1.4539E+01
CT            4539   12.011000    0.145000
 -1.0602E+01 -1.0489E+01  1.2108E+00
OH            4540   15.999000   -0.698000
 -1.0174E+01 -9.2718E+00  1.8570E+00
HO            4541    1.008000    0.433000
 -1.0904E+01 -8.6621E+00  1.7591E+00
HC            4542    1.008000    0.040000
 -1.0789E+01 -1.0302E+01  1.6154E-01
HC            4543    1.008000    0.040000
 -1.1543E+01 -1.0868E+01  1.6431E+00
HC            4544    1.008000    0.040000
 -1.0023E+01 -1.1282E+01  1.3661E+00
CT            4545   12.011000    0.145000
  1.1534E+01  8.4757E+00  2.8898E+00
OH            4546   15.999000   -0.698000
  1.2653E+01  9.2777E+00  3.1611E+00
HO            4547    1.008000    0.433000
  1.2345E+01  9.7854E+00  3.9504E+00
HC            4548    1.008000    0.040000
  1.0618E+01  8.8874E+00  3.1929E+00
HC            4549    1.008000    0.040000
  1.1832E+01  7.5730E+00  3.4151E+00
HC            4550    1.008000    0.040000
  1.1503E+01  8.1311E+00  1.8647E+00
CT            4551   12.011000    0.145000
 -2.7494E+00  8.7327E+00  8.0923E+00
OH            4552   15.999000   -0.698000
 -2.0893E+00  8.4935E+00  6.8408E+00
HO            4553    1.008000    0.433000
 -1.8358E+00  7.5297E+00  6.7453E+00
HC            4554    1.008000    0.040000
 -3.7434E+00  8.4327E+00  8.1125E+00
HC            4555    1.008000    0.040000
 -2.7848E+00  9.8018E+00  8.2059E+00
HC            4556    1.008000    0.040000
 -2.2819E+00  8.3296E+00  8.9814E+00
CT            4557   12.011000    0.145000
 -2.2496E+00 -6.2116E+00 -7.6165E+00
OH            4558   15.999000   -0.698000
 -2.3751E+00 -5.6328E+00 -8.8427E+00
HO            4559    1.008000    0.433000
 -1.8804E+00 -6.0056E+00 -9.5761E+00
HC            4560    1.008000    0.040000
 -3.1840E+00 -6.1869E+00 -7.0899E+00
HC            4561    1.008000    0.040000
 -1.3222E+00 -5.9078E+00 -7.0028E+00
HC            4562    1.008000    0.040000
 -2.0395E+00 -7.3032E+00 -7.7940E+00
CT            4563   12.011000    0.145000
  1.5148E+01  1.5727E+01  3.2721E+00
OH            4564   15.999000   -0.698000
  1.5331E+01  1.6603E+01  4.3509E+00
HO            4565    1.008000    0.433000
  1.6157E+01  1.7156E+01  4.1834E+00
HC            4566    1.008000    0.040000
  1.5869E+01  1.5969E+01  2.4603E+00
HC            4567    1.008000    0.040000
  1.4168E+01  1.5832E+01  2.7669E+00
HC            4568    1.008000    0.040000
  1.5407E+01  1.4698E+01  3.4269E+00
CT            4569   12.011000    0.145000
 -6.2346E+00 -1.8310E+00 -8.6224E+00
OH            4570   15.999000   -0.698000
 -5.7758E+00 -2.7610E+00 -9.5832E+00
HO            4571    1.008000    0.433000
 -4.7990E+00 -2.8310E+00 -9.4490E+00
HC            4572    1.008000    0.040000
 -6.3369E+00 -2.2688E+00 -7.6796E+00
HC            4573    1.008000    0.040000
 -7.2099E+00 -1.4239E+00 -8.9479E+00
HC            4574    1.008000    0.040000
 -5.4825E+00 -1.0277E+00 -8.5899E+00
CT            4575   12.011000    0.145000
  2.2020E+00 -1.2635E+01 -9.1836E+00
OH            4576   15.999000   -0.698000
  3.0100E+00 -1.3691E+01 -8.6202E+00
HO            4577    1.008000    0.433000
  2.7057E+00 -1.3810E+01 -7.7278E+00
HC            4578    1.008000    0.040000
  2.7100E+00 -1.2074E+01 -9.9816E+00
HC            4579    1.008000    0.040000
  2.0137E+00 -1.1860E+01 -8.4125E+00
HC            4580    1.008000    0.040000
  1.2756E+00 -1.3023E+01 -9.5773E+00
CT            4581   12.011000    0.145000
  8.3555E-01  2.5072E+00 -8.9141E+00
OH            4582   15.999000   -0.698000
  9.9316E-01  3.9531E+00 -8.8235E+00
HO            4583    1.008000    0.433000
  8.7363E-01  4.4080E+00 -9.7167E+00
HC            4584    1.008000    0.040000
  1.0864E+00  1.9175E+00 -8.0136E+00
HC            4585    1.008000    0.040000
  1.5716E+00  2.2639E+00 -9.6997E+00
HC            4586    1.008000    0.040000
 -1.9278E-01  2.1821E+00 -9.2051E+00
CT            4587   12.011000    0.145000
 -7.8924E+00  1.6978E+01  1.0109E+01
OH            4588   15.999000   -0.698000
 -8.2687E+00 -1.7960E+01  1.0645E+01
HO            4589    1.008000    0.433000
 -7.8254E+00 -1.7827E+01  1.1514E+01
HC            4590    1.008000    0.040000
 -8.3013E+00  1.6106E+01  1.0681E+01
HC            4591    1.008000    0.040000
 -6.8103E+00  1.6803E+01  9.9928E+00
HC            4592    1.008000    0.040000
 -8.3797E+00  1.6832E+01  9.1159E+00
CT            4593   12.011000    0.145000
 -1.3195E+01 -6.6585E+00  1.0352E+01
OH            4594   15.999000   -0.698000
 -1.3541E+01 -7.7837E+00  1.1131E+01
HO            4595    1.008000    0.433000
 -1.3074E+01 -7.6979E+00  1.1888E+01
HC            4596    1.008000    0.040000
 -1.2179E+01 -6.6652E+00  1.0004E+01
HC            4597    1.008000    0.040000
 -1.3291E+01 -5.7461E+00  1.0956E+01
HC            4598    1.008000    0.040000
 -1.3863E+01 -6.4401E+00  9.4767E+00
CT            4599   12.011000    0.145000
 -4.4098E+00  3.9552E+00  2.7071E+00
OH            4600   15.999000   -0.698000
 -3.3903E+00  3.2211E+00  3.3349E+00
HO            4601    1.008000    0.433000
 -2.7801E+00  3.8778E+00  3.6489E+00
HC            4602    1.008000    0.040000
 -5.3266E+00  3.4119E+00  2.7596E+00
HC            4603    1.008000    0.040000
 -4.2522E+00  4.1649E+00  1.5838E+00
HC            4604    1.008000    0.040000
 -4.5635E+00  4.9067E+00  3.1966E+00
CT            4605   12.011000    0.145000
  1.0025E+01 -1.4836E+01 -1.1819E+01
OH            4606   15.999000   -0.698000
  1.0373E+01 -1.3480E+01 -1.1831E+01
HO            4607    1.008000    0.433000
  1.1325E+01 -1.3452E+01 -1.1823E+01
HC            4608    1.008000    0.040000
  1.0037E+01 -1.5253E+01 -1.0776E+01
HC            4609    1.008000    0.040000
  1.0742E+01 -1.5454E+01 -1.2380E+01
HC            4610    1.008000    0.040000
  9.0562E+00 -1.5014E+01 -1.2245E+01
CT            4611   12.011000    0.145000
  1.0865E+01  1.8060E+01 -3.8212E+00
OH            4612   15.999000   -0.698000
  9.6446E+00 -1.7381E+01 -3.8060E+00
HO            4613    1.008000    0.433000
  9.6733E+00 -1.6924E+01 -2.9785E+00
HC            4614    1.008000    0.040000
  1.1115E+01  1.7485E+01 -4.7406E+00
HC            4615    1.008000    0.040000
  1.0698E+01  1.7297E+01 -3.0476E+00
HC            4616    1.008000    0.040000
  1.1812E+01 -1.7576E+01 -3.5412E+00
CT            4617   12.011000    0.145000
  1.3357E+01  1.7573E+01 -1.0163E+01
OH            4618   15.999000   -0.698000
  1.4231E+01 -1.7607E+01 -1.0682E+01
HO            4619    1.008000    0.433000
  1.4765E+01 -1.7394E+01 -9.9624E+00
HC            4620    1.008000    0.040000
  1.3162E+01  1.7549E+01 -9.0381E+00
HC            4621    1.008000    0.040000
  1.3659E+01  1.6538E+01 -1.0457E+01
HC            4622    1.008000    0.040000
  1.2366E+01  1.7695E+01 -1.0674E+01
CT            4623   12.011000    0.145000
  6.3520E+00  1.5358E+01 -1.9805E+00
OH            4624   15.999000   -0.698000
  6.1049E+00  1.6532E+01 -1.2523E+00
HO            4625    1.008000    0.433000
  6.7723E+00  1.6685E+01 -6.1619E-01
HC            4626    1.008000    0.040000
  6.4729E+00  1.4464E+01 -1.4130E+00
HC            4627    1.008000    0.040000
  7.4006E+00  1.5457E+01 -2.3835E+00
HC            4628    1.008000    0.040000
  5.6386E+00  1.5312E+01 -2.7779E+00
CT            4629   12.011000    0.145000
 -1.3847E+01  9.3251E+00  8.6878E+00
OH            4630   15.999000   -0.698000
 -1.4176E+01  1.0195E+01  7.6208E+00
HO            4631    1.008000    0.433000
 -1.4494E+01  9.7223E+00  6.8389E+00
HC            4632    1.008000    0.040000
 -1.3292E+01  9.8422E+00  9.4331E+00
HC            4633    1.008000    0.040000
 -1.3238E+01  8.4524E+00  8.3837E+00
HC            4634    1.008000    0.040000
 -1.4723E+01  8.9063E+00  9.1822E+00
CT            4635   12.011000    0.145000
 -7.2315E+00 -1.6124E+01 -1.3421E+00
OH            4636   15.999000   -0.698000
 -7.1777E+00 -1.5822E+01 -2.7016E+00
HO            4637    1.008000    0.433000
 -7.9486E+00 -1.5318E+01 -3.0709E+00
HC            4638    1.008000    0.040000
 -6.5093E+00 -1.6914E+01 -1.1723E+00
HC            4639    1.008000    0.040000
 -8.1950E+00 -1.6407E+01 -1.0144E+00
HC            4640    1.008000    0.040000
 -6.8243E+00 -1.5250E+01 -7.6930E-01
CT            4641   12.011000    0.145000
 -1.4297E+00  3.9696E-01  1.2915E+01
OH            4642   15.999000   -0.698000
 -2.4375E+00  1.3063E+00  1.2296E+01
HO            4643    1.008000    0.433000
 -3.2465E+00  8.5232E-01  1.2203E+01
HC            4644    1.008000    0.040000
 -1.9159E+00  5.0578E-02  1.3875E+01
HC            4645    1.008000    0.040000
 -5.5008E-01  9.3658E-01  1.3107E+01
HC            4646    1.008000    0.040000
 -1.1681E+00 -4.9744E-01  1.2278E+01
CT            4647   12.011000    0.145000
  1.2471E+00  1.4397E+01  7.4868E+00
OH            4648   15.999000   -0.698000
  1.2594E+00  1.4399E+01  6.0568E+00
HO            4649    1.008000    0.433000
  1.9897E+00  1.4964E+01  5.7866E+00
HC            4650    1.008000    0.040000
  5.3896E-01  1.3726E+01  7.9985E+00
HC            4651    1.008000    0.040000
  9.6277E-01  1.5301E+01  7.8658E+00
HC            4652    1.008000    0.040000
  2.2749E+00  1.4315E+01  7.8820E+00
CT            4653   12.011000    0.145000
 -1.1594E+01 -5.3001E+00 -1.7590E+01
OH            4654   15.999000   -0.698000
 -1.0753E+01 -4.4803E+00 -1.6785E+01
HO            4655    1.008000    0.433000
 -1.0113E+01 -4.1867E+00 -1.7375E+01
HC            4656    1.008000    0.040000
 -1.2632E+01 -5.2557E+00 -1.7298E+01
HC            4657    1.008000    0.040000
 -1.1218E+01 -6.3218E+00 -1.7630E+01
HC            4658    1.008000    0.040000
 -1.1443E+01 -4.9574E+00  1.7680E+01
CT            4659   12.011000    0.145000
  1.1663E+01  1.2714E+01  2.7202E+00
OH            4660   15.999000   -0.698000
  1.0523E+01  1.2484E+01  1.8720E+00
HO            4661    1.008000    0.433000
  1.0247E+01  1.3331E+01  1.6578E+00
HC            4662    1.008000    0.040000
  1.1575E+01  1.3386E+01  3.5684E+00
HC            4663    1.008000    0.040000
  1.2382E+01  1.3090E+01  2.0012E+00
HC            4664    1.008000    0.040000
  1.2037E+01  1.1865E+01  3.1543E+00
CT            4665   12.011000    0.145000
  2.4634E+00  1.5400E+01 -8.8486E-02
OH            4666   15.999000   -0.698000
  1.3661E+00  1.4502E+01  6.1403E-02
HO            4667    1.008000    0.433000
  1.6395E+00  1.3895E+01  7.8264E-01
HC            4668    1.008000    0.040000
  3.3770E+00  1.4902E+01  2.3493E-01
HC            4669    1.008000    0.040000
  2.2405E+00  1.6233E+01  5.4103E-01
HC            4670    1.008000    0.040000
  2.7179E+00  1.5644E+01 -1.1418E+00
CT            4671   12.011000    0.145000
  8.5822E+00  6.0741E+00  4.4638E-01
OH            4672   15.999000   -0.698000
  9.3308E+00  5.1189E+00 -3.0318E-01
HO            4673    1.008000    0.433000
  9.7406E+00  5.6717E+00 -9.6397E-01
HC            4674    1.008000    0.040000
  8.6091E+00  5.6541E+00  1.4659E+00
HC            4675    1.008000    0.040000
  7.5222E+00  6.1575E+00  1.8965E-02
HC            4676    1.008000    0.040000
  9.0765E+00  7.0574E+00  5.2848E-01
CT            4677   12.011000    0.145000
 -1.6920E+01  1.4670E+01  1.4135E+01
OH            4678   15.999000   -0.698000
 -1.7241E+01  1.5382E+01  1.5331E+01
HO            4679    1.008000    0.433000
 -1.7607E+01  1.6225E+01  1.5047E+01
HC            4680    1.008000    0.040000
 -1.7688E+01  1.4385E+01  1.3477E+01
HC            4681    1.008000    0.040000
 -1.6375E+01  1.3764E+01  1.4338E+01
HC            4682    1.008000    0.040000
 -1.6320E+01  1.5344E+01  1.3606E+01
CT            4683   12.011000    0.145000
  2.7510E-01  8.6907E+00 -4.1259E+00
OH            4684   15.999000   -0.698000
 -8.1344E-02  9.3417E+00 -5.3418E+00
HO            4685    1.008000    0.433000
  7.1032E-01  9.7121E+00 -5.7167E+00
HC            4686    1.008000    0.040000
  9.2987E-01  7.8464E+00 -4.3176E+00
HC            4687    1.008000    0.040000
 -5.4883E-01  8.3818E+00 -3.4397E+00
HC            4688    1.008000    0.040000
  9.3425E-01  9.3667E+00 -3.4915E+00
CT            4689   12.011000    0.145000
 -5.6347E+00 -1.1426E+01  1.5440E+01
OH            4690   15.999000   -0.698000
 -4.6829E+00 -1.0581E+01  1.4830E+01
HO            4691    1.008000    0.433000
 -4.1160E+00 -1.1232E+01  1.4480E+01
HC            4692    1.008000    0.040000
 -5.5268E+00 -1.1410E+01  1.6537E+01
HC            4693    1.008000    0.040000
 -5.2692E+00 -1.2357E+01  1.5083E+01
HC            4694    1.008000    0.040000
 -6.6778E+00 -1.1217E+01  1.4986E+01
CT            4695   12.011000    0.145000
  8.0659E+00 -1.7648E+01  6.7634E-01
OH            4696   15.999000   -0.698000
  8.0027E+00  1.7133E+01  7.4816E-01
HO            4697    1.008000    0.433000
  8.1636E+00  1.6874E+01  1.7286E+00
HC            4698    1.008000    0.040000
  7.9355E+00 -1.7166E+01 -3.3742E-01
HC            4699    1.008000    0.040000
  9.0983E+00 -1.7295E+01  1.0603E+00
HC            4700    1.008000    0.040000
  7.2325E+00 -1.7282E+01  1.3044E+00
CT            4701   12.011000    0.145000
  3.1076E+00 -6.9747E+00  1.2906E+01
OH            4702   15.999000   -0.698000
  4.1509E+00 -7.3485E+00  1.3771E+01
HO            4703    1.008000    0.433000
  4.3870E+00 -8.2241E+00  1.3425E+01
HC            4704    1.008000    0.040000
  2.7997E+00 -5.9126E+00  1.2909E+01
HC            4705    1.008000    0.040000
  2.2274E+00 -7.5642E+00  1.3063E+01
HC            4706    1.008000    0.040000
  3.4223E+00 -7.1620E+00  1.1862E+01
CT            4707   12.011000    0.145000
  7.2851E+00  1.0222E+01  1.0846E+01
OH            4708   15.999000   -0.698000
  8.0570E+00  9.0913E+00  1.1085E+01
HO            4709    1.008000    0.433000
  8.1404E+00  8.9222E+00  1.1997E+01
HC            4710    1.008000    0.040000
  7.6848E+00  1.1222E+01  1.1149E+01
HC            4711    1.008000    0.040000
  6.2804E+00  1.0311E+01  1.1320E+01
HC            4712    1.008000    0.040000
  7.0311E+00  1.0275E+01  9.7814E+00
CT            4713   12.011000    0.145000
  4.9521E+00 -9.7783E+00  5.7965E+00
OH            4714   15.999000   -0.698000
  6.2027E+00 -9.7680E+00  6.4912E+00
HO            4715    1.008000    0.433000
  6.6823E+00 -8.9859E+00  6.1637E+00
HC            4716    1.008000    0.040000
  4.2431E+00 -9.1042E+00  6.2835E+00
HC            4717    1.008000    0.040000
  4.4262E+00 -1.0745E+01  5.9379E+00
HC            4718    1.008000    0.040000
  5.1064E+00 -9.5554E+00  4.7533E+00
CT            4719   12.011000    0.145000
 -1.1624E+01 -1.4328E+01  6.7948E+00
OH            4720   15.999000   -0.698000
 -1.3047E+01 -1.4278E+01  6.8447E+00
HO            4721    1.008000    0.433000
 -1.3398E+01 -1.3411E+01  6.4737E+00
HC            4722    1.008000    0.040000
 -1.1248E+01 -1.4196E+01  5.7530E+00
HC            4723    1.008000    0.040000
 -1.1361E+01 -1.5346E+01  7.0698E+00
HC            4724    1.008000    0.040000
 -1.1165E+01 -1.3673E+01  7.5158E+00
CT            4725   12.011000    0.145000
 -3.8999E+00 -6.1396E+00 -4.3805E+00
OH            4726   15.999000   -0.698000
 -4.4358E+00 -7.2983E+00 -4.9583E+00
HO            4727    1.008000    0.433000
 -4.8999E+00 -6.9565E+00 -5.7579E+00
HC            4728    1.008000    0.040000
 -3.5604E+00 -5.4353E+00 -5.1208E+00
HC            4729    1.008000    0.040000
 -3.0606E+00 -6.2462E+00 -3.7956E+00
HC            4730    1.008000    0.040000
 -4.6592E+00 -5.3951E+00 -3.9424E+00
CT            4731   12.011000    0.145000
 -1.3859E+00  2.1107E+00 -4.0699E+00
OH            4732   15.999000   -0.698000
 -8.3663E-01  1.9813E+00 -5.3541E+00
HO            4733    1.008000    0.433000
 -5.9789E-01  2.8739E+00 -5.5029E+00
HC            4734    1.008000    0.040000
 -1.6921E+00  1.1437E+00 -3.6455E+00
HC            4735    1.008000    0.040000
 -2.2464E+00  2.7545E+00 -4.3014E+00
HC            4736    1.008000    0.040000
 -7.7740E-01  2.5999E+00 -3.3236E+00
CT            4737   12.011000    0.145000
  1.2034E+01  6.8607E+00 -1.7402E+01
OH            4738   15.999000   -0.698000
  1.2826E+01  5.6674E+00 -1.7482E+01
HO            4739    1.008000    0.433000
  1.2230E+01  4.9867E+00 -1.7091E+01
HC            4740    1.008000    0.040000
  1.0950E+01  6.6026E+00 -1.7536E+01
HC            4741    1.008000    0.040000
  1.2406E+01  7.5206E+00  1.8041E+01
HC            4742    1.008000    0.040000
  1.2174E+01  7.3268E+00 -1.6419E+01
CT            4743   12.011000    0.145000
 -6.5742E+00 -1.6750E+01 -1.6248E+01
OH            4744   15.999000   -0.698000
 -5.4149E+00 -1.6811E+01 -1.6984E+01
HO            4745    1.008000    0.433000
 -5.2773E+00 -1.7678E+01 -1.7304E+01
HC            4746    1.008000    0.040000
 -6.6549E+00 -1.5746E+01 -1.5733E+01
HC            4747    1.008000    0.040000
 -6.7413E+00 -1.7462E+01 -1.5421E+01
HC            4748    1.008000    0.040000
 -7.4833E+00 -1.6877E+01 -1.6856E+01
CT            4749   12.011000    0.145000
  6.0549E+00 -1.1768E+01 -8.3739E+00
OH            4750   15.999000   -0.698000
  7.1006E+00 -1.2709E+01 -8.6331E+00
HO            4751    1.008000    0.433000
  6.5970E+00 -1.3502E+01 -8.6904E+00
HC            4752    1.008000    0.040000
  6.3065E+00 -1.0757E+01 -8.1355E+00
HC            4753    1.008000    0.040000
  5.4846E+00 -1.2096E+01 -7.5857E+00
HC            4754    1.008000    0.040000
  5.4398E+00 -1.1709E+01 -9.2419E+00
CT            4755   12.011000    0.145000
  5.6019E+00  4.4307E+00 -1.6090E+01
OH            4756   15.999000   -0.698000
  6.9601E+00  4.3093E+00 -1.5708E+01
HO            4757    1.008000    0.433000
  6.9549E+00  3.8610E+00 -1.4859E+01
HC            4758    1.008000    0.040000
  5.1346E+00  3.4372E+00 -1.5995E+01
HC            4759    1.008000    0.040000
  5.3020E+00  4.6611E+00 -1.7125E+01
HC            4760    1.008000    0.040000
  5.1269E+00  5.0497E+00 -1.5336E+01
CT            4761   12.011000    0.145000
  1.7970E+01  1.1660E+01  4.8616E+00
OH            4762   15.999000   -0.698000
  1.6837E+01  1.1415E+01  5.6863E+00
HO            4763    1.008000    0.433000
  1.6991E+01  1.0672E+01  6.1715E+00
HC            4764    1.008000    0.040000
 -1.7467E+01  1.2303E+01  5.2616E+00
HC            4765    1.008000    0.040000
  1.7583E+01  1.2093E+01  3.9783E+00
HC            4766    1.008000    0.040000
 -1.7712E+01  1.0770E+01  4.6503E+00
CT            4767   12.011000    0.145000
 -9.1230E+00  6.6178E-01 -8.7547E+00
OH            4768   15.999000   -0.698000
 -1.0282E+01  1.4151E+00 -8.9662E+00
HO            4769    1.008000    0.433000
 -1.1008E+01  8.0875E-01 -9.1685E+00
HC            4770    1.008000    0.040000
 -8.3761E+00  1.4245E+00 -8.6269E+00
HC            4771    1.008000    0.040000
 -8.7858E+00 -1.2872E-02 -9.5332E+00
HC            4772    1.008000    0.040000
 -9.1908E+00  1.7294E-01 -7.6995E+00
CT            4773   12.011000    0.145000
 -1.0327E+01  1.3766E+01  1.3054E+01
OH            4774   15.999000   -0.698000
 -9.1490E+00  1.3090E+01  1.3542E+01
HO            4775    1.008000    0.433000
 -8.3512E+00  1.3286E+01  1.2960E+01
HC            4776    1.008000    0.040000
 -1.0152E+01  1.4723E+01  1.2483E+01
HC            4777    1.008000    0.040000
 -1.0871E+01  1.4077E+01  1.3952E+01
HC            4778    1.008000    0.040000
 -1.0957E+01  1.3053E+01  1.2500E+01
CT            4779   12.011000    0.145000
  4.2435E+00  1.2583E+01  1.1171E+01
OH            4780   15.999000   -0.698000
  4.3585E+00  1.2119E+01  9.8301E+00
HO            4781    1.008000    0.433000
  3.5078E+00  1.1846E+01  9.5062E+00
HC            4782    1.008000    0.040000
  4.8256E+00  1.3444E+01  1.1508E+01
HC            4783    1.008000    0.040000
  4.5289E+00  1.1854E+01  1.1903E+01
HC            4784    1.008000    0.040000
  3.2210E+00  1.2780E+01  1.1519E+01
CT            4785   12.011000    0.145000
  1.8007E+00 -2.5057E+00  1.3579E+01
OH            4786   15.999000   -0.698000
  1.4679E+00 -1.7120E+00  1.4667E+01
HO            4787    1.008000    0.433000
  6.8162E-01 -2.0630E+00  1.5144E+01
HC            4788    1.008000    0.040000
  2.2380E+00 -3.4076E+00  1.3969E+01
HC            4789    1.008000    0.040000
  2.5781E+00 -2.1233E+00  1.2985E+01
HC            4790    1.008000    0.040000
  9.7257E-01 -2.8440E+00  1.2968E+01
CT            4791   12.011000    0.145000
 -7.7412E+00  1.3372E+01 -1.0297E+01
OH            4792   15.999000   -0.698000
 -7.4965E+00  1.4611E+01 -9.7428E+00
HO            4793    1.008000    0.433000
 -7.4206E+00  1.4356E+01 -8.8600E+00
HC            4794    1.008000    0.040000
 -7.1153E+00  1.3217E+01 -1.1208E+01
HC            4795    1.008000    0.040000
 -8.6401E+00  1.3553E+01 -1.0831E+01
HC            4796    1.008000    0.040000
 -7.7489E+00  1.2510E+01 -9.5224E+00
CT            4797   12.011000    0.145000
 -1.4740E+00 -1.0450E+01 -7.7217E+00
OH            4798   15.999000   -0.698000
 -2.7526E-01 -1.0417E+01 -6.9619E+00
HO            4799    1.008000    0.433000
 -3.9513E-01 -1.1065E+01 -6.2553E+00
HC            4800    1.008000    0.040000
 -1.3119E+00 -9.7504E+00 -8.5282E+00
HC            4801    1.008000    0.040000
 -2.4482E+00 -1.0128E+01 -7.2606E+00
HC            4802    1.008000    0.040000
 -1.4526E+00 -1.1446E+01 -8.2193E+00
CT            4803   12.011000    0.145000
  1.3367E+01 -1.2674E+00 -7.3900E+00
OH            4804   15.999000   -0.698000
  1.2414E+01 -2.3570E+00 -7.2905E+00
HO            4805    1.008000    0.433000
  1.2022E+01 -2.2632E+00 -6.4270E+00
HC            4806    1.008000    0.040000
  1.2995E+01 -4.7429E-01 -8.0535E+00
HC            4807    1.008000    0.040000
  1.4342E+01 -1.6024E+00 -7.7339E+00
HC            4808    1.008000    0.040000
  1.3510E+01 -8.4813E-01 -6.4190E+00
CT            4809   12.011000    0.145000
  4.1530E-01 -3.7317E+00  1.6767E+01
OH            4810   15.999000   -0.698000
 -4.8947E-01 -2.8640E+00  1.6138E+01
HO            4811    1.008000    0.433000
 -1.1708E+00 -3.4316E+00  1.5832E+01
HC            4812    1.008000    0.040000
  1.0220E+00 -4.0930E+00  1.5986E+01
HC            4813    1.008000    0.040000
 -1.2649E-01 -4.5277E+00  1.7132E+01
HC            4814    1.008000    0.040000
  1.0142E+00 -3.1677E+00  1.7510E+01
CT            4815   12.011000    0.145000
  3.1310E+00 -1.9454E+00  4.6021E+00
OH            4816   15.999000   -0.698000
  4.3223E+00 -1.8372E+00  3.9182E+00
HO            4817    1.008000    0.433000
  4.8452E+00 -1.0988E+00  4.2693E+00
HC            4818    1.008000    0.040000
  3.2440E+00 -1.7878E+00  5.7054E+00
HC            4819    1.008000    0.040000
  2.6298E+00 -2.9059E+00  4.4617E+00
HC            4820    1.008000    0.040000
  2.4001E+00 -1.2924E+00  4.2446E+00
CT            4821   12.011000    0.145000
 -2.0633E+00 -2.3516E+00  6.1480E-02
OH            4822   15.999000   -0.698000
 -7.3002E-01 -2.2948E+00  4.4498E-01
HO            4823    1.008000    0.433000
 -3.7572E-01 -1.5128E+00 -5.9414E-05
HC            4824    1.008000    0.040000
 -2.0980E+00 -2.6760E+00 -1.0009E+00
HC            4825    1.008000    0.040000
 -2.5900E+00 -1.4367E+00  2.9019E-01
HC            4826    1.008000    0.040000
 -2.5448E+00 -3.0866E+00  5.8033E-01
CT            4827   12.011000    0.145000
  1.2338E+01 -1.2412E+01  1.2708E+01
OH            4828   15.999000   -0.698000
  1.1936E+01 -1.2997E+01  1.3932E+01
HO            4829    1.008000    0.433000
  1.2253E+01 -1.2367E+01  1.4627E+01
HC            4830    1.008000    0.040000
  1.1749E+01 -1.2806E+01  1.1891E+01
HC            4831    1.008000    0.040000
  1.3381E+01 -1.2630E+01  1.2490E+01
HC            4832    1.008000    0.040000
  1.2325E+01 -1.1326E+01  1.2867E+01
CT            4833   12.011000    0.145000
  1.5053E+01  1.1388E+01 -1.3055E+01
OH            4834   15.999000   -0.698000
  1.3854E+01  1.1288E+01 -1.2420E+01
HO            4835    1.008000    0.433000
  1.3714E+01  1.0340E+01 -1.2330E+01
HC            4836    1.008000    0.040000
  1.4974E+01  1.0780E+01 -1.3872E+01
HC            4837    1.008000    0.040000
  1.5853E+01  1.0951E+01 -1.2477E+01
HC            4838    1.008000    0.040000
  1.5458E+01  1.2404E+01 -1.3295E+01
CT            4839   12.011000    0.145000
  3.7623E+00  1.4571E+01  1.4725E+01
OH            4840   15.999000   -0.698000
  3.7658E+00  1.5788E+01  1.5532E+01
HO            4841    1.008000    0.433000
  4.3263E+00  1.5724E+01  1.6297E+01
HC            4842    1.008000    0.040000
  3.0242E+00  1.3930E+01  1.5184E+01
HC            4843    1.008000    0.040000
  4.7187E+00  1.3952E+01  1.4736E+01
HC            4844    1.008000    0.040000
  3.5323E+00  1.4875E+01  1.3703E+01
CT            4845   12.011000    0.145000
  5.0595E+00 -1.0679E+01 -1.1928E+00
OH            4846   15.999000   -0.698000
  3.7859E+00 -1.0486E+01 -1.6826E+00
HO            4847    1.008000    0.433000
  3.9169E+00 -1.0254E+01 -2.5940E+00
HC            4848    1.008000    0.040000
  5.7412E+00 -9.8665E+00 -1.3645E+00
HC            4849    1.008000    0.040000
  5.4634E+00 -1.1517E+01 -1.7593E+00
HC            4850    1.008000    0.040000
  5.1916E+00 -1.1007E+01 -1.3607E-01
CT            4851   12.011000    0.145000
  8.0725E+00  1.3530E+01 -1.2199E+01
OH            4852   15.999000   -0.698000
  8.0812E+00  1.4103E+01 -1.3503E+01
HO            4853    1.008000    0.433000
  7.6215E+00  1.3416E+01 -1.3962E+01
HC            4854    1.008000    0.040000
  8.6862E+00  1.2646E+01 -1.2054E+01
HC            4855    1.008000    0.040000
  7.0709E+00  1.3232E+01 -1.1939E+01
HC            4856    1.008000    0.040000
  8.5624E+00  1.4160E+01 -1.1382E+01
CT            4857   12.011000    0.145000
 -1.5419E+01  1.4917E+00  1.7802E+01
OH            4858   15.999000   -0.698000
 -1.5575E+01  2.2388E+00  1.6530E+01
HO            4859    1.008000    0.433000
 -1.6215E+01  2.8606E+00  1.6754E+01
HC            4860    1.008000    0.040000
 -1.5989E+01  1.9715E+00 -1.7643E+01
HC            4861    1.008000    0.040000
 -1.4315E+01  1.4049E+00  1.8116E+01
HC            4862    1.008000    0.040000
 -1.5701E+01  4.4655E-01  1.7753E+01
CT            4863   12.011000    0.145000
  2.5037E+00  1.7898E+01 -1.6971E+01
OH            4864   15.999000   -0.698000
  2.8085E+00  1.6611E+01 -1.7422E+01
HO            4865    1.008000    0.433000
  2.1213E+00  1.5985E+01 -1.7277E+01
HC            4866    1.008000    0.040000
  3.2856E+00 -1.7622E+01 -1.6940E+01
HC            4867    1.008000    0.040000
  2.2504E+00  1.7684E+01 -1.5925E+01
HC            4868    1.008000    0.040000
  1.6214E+00 -1.7850E+01 -1.7366E+01
CT            4869   12.011000    0.145000
 -1.5046E+01  3.2485E-01  1.3205E+01
OH            4870   15.999000   -0.698000
 -1.4387E+01  6.6129E-01  1.1948E+01
HO            4871    1.008000    0.433000
 -1.5045E+01  5.6040E-01  1.1211E+01
HC            4872    1.008000    0.040000
 -1.4414E+01  6.4680E-01  1.3989E+01
HC            4873    1.008000    0.040000
 -1.5151E+01 -7.4942E-01  1.3267E+01
HC            4874    1.008000    0.040000
 -1.6035E+01  7.7202E-01  1.3130E+01
CT            4875   12.011000    0.145000
  6.9494E+00  1.9408E+00 -1.0738E+01
OH            4876   15.999000   -0.698000
  7.4024E+00  7.2339E-01 -1.1199E+01
HO            4877    1.008000    0.433000
  6.8483E+00  1.6027E-02 -1.1095E+01
HC            4878    1.008000    0.040000
  7.4120E+00  2.7745E+00 -1.1311E+01
HC            4879    1.008000    0.040000
  7.3544E+00  2.1532E+00 -9.6754E+00
HC            4880    1.008000    0.040000
  5.8601E+00  2.0994E+00 -1.0872E+01
CT            4881   12.011000    0.145000
  1.7055E+01  1.5185E+01 -4.0327E+00
OH            4882   15.999000   -0.698000
  1.7942E+01  1.4958E+01 -5.0673E+00
HO            4883    1.008000    0.433000
 -1.7440E+01  1.5252E+01 -4.8666E+00
HC            4884    1.008000    0.040000
  1.6095E+01  1.4781E+01 -4.2208E+00
HC            4885    1.008000    0.040000
  1.6830E+01  1.6221E+01 -3.9016E+00
HC            4886    1.008000    0.040000
  1.7498E+01  1.4732E+01 -3.1467E+00
CT            4887   12.011000    0.145000
 -8.4200E+00 -1.3936E+01  1.5858E+01
OH            4888   15.999000   -0.698000
 -8.1079E+00 -1.4204E+01  1.7172E+01
HO            4889    1.008000    0.433000
 -8.9503E+00 -1.4638E+01  1.7477E+01
HC            4890    1.008000    0.040000
 -7.5687E+00 -1.3774E+01  1.5133E+01
HC            4891    1.008000    0.040000
 -8.9756E+00 -1.3070E+01  1.6017E+01
HC            4892    1.008000    0.040000
 -9.0447E+00 -1.4784E+01  1.5582E+01
CT            4893   12.011000    0.145000
  5.7195E+00  1.5359E+01 -9.1990E+00
OH            4894   15.999000   -0.698000
  5.7187E+00  1.4568E+01 -1.0345E+01
HO            4895    1.008000    0.433000
  6.0188E+00  1.3681E+01 -1.0082E+01
HC            4896    1.008000    0.040000
  5.4430E+00  1.6430E+01 -9.3536E+00
HC            4897    1.008000    0.040000
  6.7675E+00  1.5385E+01 -8.8597E+00
HC            4898    1.008000    0.040000
  5.0123E+00  1.5006E+01 -8.4458E+00
CT            4899   12.011000    0.145000
  2.9716E+00 -1.5013E+01 -5.5772E+00
OH            4900   15.999000   -0.698000
  1.9360E+00 -1.4052E+01 -6.0609E+00
HO            4901    1.008000    0.433000
  1.1695E+00 -1.4203E+01 -5.4832E+00
HC            4902    1.008000    0.040000
  3.7852E+00 -1.4910E+01 -6.2917E+00
HC            4903    1.008000    0.040000
  2.4934E+00 -1.5964E+01 -5.4494E+00
HC            4904    1.008000    0.040000
  3.2450E+00 -1.4796E+01 -4.5342E+00
CT            4905   12.011000    0.145000
 -6.7092E-01  1.1861E+01 -8.7285E-01
OH            4906   15.999000   -0.698000
 -1.3116E+00  1.2289E+01 -2.0854E+00
HO            4907    1.008000    0.433000
 -2.2617E+00  1.2036E+01 -1.9417E+00
HC            4908    1.008000    0.040000
 -3.7321E-01  1.0791E+01 -9.0824E-01
HC            4909    1.008000    0.040000
 -1.2334E+00  1.1940E+01  5.0185E-02
HC            4910    1.008000    0.040000
  3.5255E-01  1.2271E+01 -8.1671E-01
CT            4911   12.011000    0.145000
  6.0655E+00  1.3177E+00 -6.7280E+00
OH            4912   15.999000   -0.698000
  4.8033E+00  2.0474E+00 -6.6597E+00
HO            4913    1.008000    0.433000
  4.1386E+00  1.4379E+00 -6.2905E+00
HC            4914    1.008000    0.040000
  7.0236E+00  1.9083E+00 -6.8197E+00
HC            4915    1.008000    0.040000
  6.0093E+00  6.5680E-01 -7.5594E+00
HC            4916    1.008000    0.040000
  6.1949E+00  7.3160E-01 -5.7621E+00
CT            4917   12.011000    0.145000
 -1.6224E+01  2.0497E+00  9.0171E+00
OH            4918   15.999000   -0.698000
 -1.6551E+01  3.1957E+00  8.2415E+00
HO            4919    1.008000    0.433000
 -1.7119E+01  3.7164E+00  8.7799E+00
HC            4920    1.008000    0.040000
 -1.7059E+01  1.3810E+00  9.1294E+00
HC            4921    1.008000    0.040000
 -1.5929E+01  2.4348E+00  9.9933E+00
HC            4922    1.008000    0.040000
 -1.5471E+01  1.4691E+00  8.6497E+00
CT            4923   12.011000    0.145000
 -1.1477E+01  8.5279E+00  5.2931E-01
OH            4924   15.999000   -0.698000
 -1.0652E+01  7.6491E+00  1.2922E+00
HO            4925    1.008000    0.433000
 -1.1061E+01  7.5693E+00  2.1402E+00
HC            4926    1.008000    0.040000
 -1.0992E+01  8.8327E+00 -4.5645E-01
HC            4927    1.008000    0.040000
 -1.1548E+01  9.3580E+00  1.2360E+00
HC            4928    1.008000    0.040000
 -1.2504E+01  8.2665E+00  3.4764E-01
CT            4929   12.011000    0.145000
 -4.7637E+00  1.6190E+01  1.3393E+01
OH            4930   15.999000   -0.698000
 -4.4707E+00  1.4792E+01  1.3530E+01
HO            4931    1.008000    0.433000
 -3.9816E+00  1.4541E+01  1.2770E+01
HC            4932    1.008000    0.040000
 -3.7542E+00  1.6625E+01  1.3251E+01
HC            4933    1.008000    0.040000
 -5.2623E+00  1.6595E+01  1.4283E+01
HC            4934    1.008000    0.040000
 -5.3479E+00  1.6326E+01  1.2488E+01
CT            4935   12.011000    0.145000
 -8.4936E+00 -1.0176E+01 -1.0515E+01
OH            4936   15.999000   -0.698000
 -8.9885E+00 -9.3138E+00 -1.1496E+01
HO            4937    1.008000    0.433000
 -9.9474E+00 -9.5950E+00 -1.1612E+01
HC            4938    1.008000    0.040000
 -8.5393E+00 -1.1191E+01 -1.0902E+01
HC            4939    1.008000    0.040000
 -9.1247E+00 -1.0133E+01 -9.6573E+00
HC            4940    1.008000    0.040000
 -7.5003E+00 -9.9187E+00 -1.0302E+01
CT            4941   12.011000    0.145000
 -1.1019E+01 -3.2379E+00 -9.8177E+00
OH            4942   15.999000   -0.698000
 -9.7942E+00 -2.6856E+00 -9.4832E+00
HO            4943    1.008000    0.433000
 -9.1214E+00 -2.9285E+00 -1.0147E+01
HC            4944    1.008000    0.040000
 -1.1688E+01 -3.0911E+00 -8.9121E+00
HC            4945    1.008000    0.040000
 -1.0976E+01 -4.2457E+00 -9.9447E+00
HC            4946    1.008000    0.040000
 -1.1448E+01 -2.6798E+00 -1.0699E+01
CT            4947   12.011000    0.145000
  1.5638E+01 -8.6221E+00 -1.7743E+01
OH            4948   15.999000   -0.698000
  1.6152E+01 -8.8192E+00  1.7153E+01
HO            4949    1.008000    0.433000
  1.5542E+01 -8.4848E+00  1.6565E+01
HC            4950    1.008000    0.040000
  1.6341E+01 -8.8525E+00 -1.6952E+01
HC            4951    1.008000    0.040000
  1.4719E+01 -9.1350E+00 -1.7536E+01
HC            4952    1.008000    0.040000
  1.5526E+01 -7.5994E+00 -1.7597E+01
CT            4953   12.011000    0.145000
  9.9883E+00 -1.5369E+01  1.3247E+01
OH            4954   15.999000   -0.698000
  9.6556E+00 -1.4597E+01  1.4331E+01
HO            4955    1.008000    0.433000
  1.0423E+01 -1.4036E+01  1.4448E+01
HC            4956    1.008000    0.040000
  1.0382E+01 -1.4764E+01  1.2405E+01
HC            4957    1.008000    0.040000
  9.0712E+00 -1.5867E+01  1.2964E+01
HC            4958    1.008000    0.040000
  1.0596E+01 -1.6139E+01  1.3680E+01
CT            4959   12.011000    0.145000
  1.7048E+01 -4.6290E+00  1.3409E+01
OH            4960   15.999000   -0.698000
  1.7828E+01 -5.1924E+00  1.4389E+01
HO            4961    1.008000    0.433000
  1.8026E+01 -6.0932E+00  1.4100E+01
HC            4962    1.008000    0.040000
  1.7133E+01 -3.5684E+00  1.3514E+01
HC            4963    1.008000    0.040000
  1.5967E+01 -4.6018E+00  1.3564E+01
HC            4964    1.008000    0.040000
  1.7251E+01 -4.9528E+00  1.2483E+01
CT            4965   12.011000    0.145000
  4.0170E+00  8.7601E-02 -1.3845E+01
OH            4966   15.999000   -0.698000
  5.0123E+00 -5.0012E-01 -1.4686E+01
HO            4967    1.008000    0.433000
  5.5664E+00  2.2818E-01 -1.4832E+01
HC            4968    1.008000    0.040000
  3.4171E+00  9.5486E-01 -1.4209E+01
HC            4969    1.008000    0.040000
  4.4556E+00  3.2538E-01 -1.2877E+01
HC            4970    1.008000    0.040000
  3.1972E+00 -6.8403E-01 -1.3638E+01
CT            4971   12.011000    0.145000
  1.5268E+01 -4.3941E+00 -3.8502E+00
OH            4972   15.999000   -0.698000
  1.3916E+01 -4.2180E+00 -3.9815E+00
HO            4973    1.008000    0.433000
  1.3503E+01 -4.4563E+00 -3.1708E+00
HC            4974    1.008000    0.040000
  1.5851E+01 -4.1205E+00 -4.7120E+00
HC            4975    1.008000    0.040000
  1.5503E+01 -5.4021E+00 -3.4909E+00
HC            4976    1.008000    0.040000
  1.5507E+01 -3.7207E+00 -3.1127E+00
CT            4977   12.011000    0.145000
  1.6403E+01 -1.7871E+01 -1.6576E+01
OH            4978   15.999000   -0.698000
  1.5501E+01 -1.6783E+01 -1.6691E+01
HO            4979    1.008000    0.433000
  1.5841E+01 -1.6096E+01 -1.6151E+01
HC            4980    1.008000    0.040000
  1.6162E+01  1.7564E+01 -1.7302E+01
HC            4981    1.008000    0.040000
  1.6413E+01  1.7910E+01 -1.5552E+01
HC            4982    1.008000    0.040000
  1.7414E+01 -1.7573E+01 -1.6851E+01
CT            4983   12.011000    0.145000
 -1.7659E+01  8.7584E+00 -3.5203E+00
OH            4984   15.999000   -0.698000
  1.7462E+01  8.4865E+00 -4.3150E+00
HO            4985    1.008000    0.433000
  1.7100E+01  7.6378E+00 -4.1212E+00
HC            4986    1.008000    0.040000
 -1.7298E+01  9.7951E+00 -3.6697E+00
HC            4987    1.008000    0.040000
 -1.6893E+01  8.0472E+00 -3.7813E+00
HC            4988    1.008000    0.040000
 -1.7836E+01  8.5841E+00 -2.4382E+00
CT            4989   12.011000    0.145000
 -1.6118E+01 -3.8990E+00  1.2550E+01
OH            4990   15.999000   -0.698000
 -1.4995E+01 -3.2634E+00  1.1985E+01
HO            4991    1.008000    0.433000
 -1.4357E+01 -2.9383E+00  1.2685E+01
HC            4992    1.008000    0.040000
 -1.6600E+01 -3.3878E+00  1.3395E+01
HC            4993    1.008000    0.040000
 -1.5785E+01 -4.8822E+00  1.3022E+01
HC            4994    1.008000    0.040000
 -1.6909E+01 -4.0685E+00  1.1858E+01
CT            4995   12.011000    0.145000
  6.3350E+00  1.0596E+00  3.8377E+00
OH            4996   15.999000   -0.698000
  5.5659E+00  4.2261E-01  4.8408E+00
HO            4997    1.008000    0.433000
  5.9958E+00  5.9764E-01  5.6567E+00
HC            4998    1.008000    0.040000
  7.0823E+00  3.2395E-01  3.5091E+00
HC            4999    1.008000    0.040000
  6.8575E+00  1.9028E+00  4.2416E+00
HC            5000    1.008000    0.040000
  5.7506E+00  1.3845E+00  2.9991E+00
timestep       200      5000         0         3    0.001000
   36.24       0.000       0.000
   0.000       36.24       0.000
   0.000       0.000       36.24
OW               1   15.999000    0.000000
 -1.5666E+01 -8.4159E+00  1.6095E+01
HW               2    1.008000    0.556400
 -1.6210E+01 -8.1171E+00  1.5366E+01
HW               3    1.008000    0.556400
 -1.6291E+01 -8.7587E+00  1.6735E+01
Q                4    0.000000   -1.112800
 -1.5820E+01 -8.4217E+00  1.6084E+01
OW               5   15.999000    0.000000
  3.6384E+00  4.2859E+00  3.8382E+00
HW               6    1.008000    0.556400
  3.5221E+00  3.4973E+00  4.3681E+00
HW               7    1.008000    0.556400
  3.3177E+00  4.0412E+00  2.9702E+00
Q                8    0.000000   -1.112800
  3.5807E+00  4.1496E+00  3.7936E+00
OW               9   15.999000    0.000000
  1.5891E+01  8.9452E+00  1.0502E+01
HW              10    1.008000    0.556400
  1.6813E+01  9.0824E+00  1.0722E+01
HW              11    1.008000    0.556400
  1.5603E+01  9.7835E+00  1.0140E+01
Q               12    0.000000   -1.112800
  1.5975E+01  9.0739E+00  1.0483E+01
OW              13   15.999000    0.000000
  6.7923E+00 -9.2473E+00 -1.2035E+01
HW              14    1.008000    0.556400
  7.3805E+00 -9.0935E+00 -1.2774E+01
HW              15    1.008000    0.556400
  7.2318E+00 -9.9197E+00 -1.1514E+01
Q               16    0.000000   -1.112800
  6.9279E+00 -9.3157E+00 -1.2064E+01
OW              17   15.999000    0.000000
  9.6226E+00 -2.9146E+00  8.5307E+00
HW              18    1.008000    0.556400
  1.0349E+01 -3.2476E+00  8.0041E+00
HW              19    1.008000    0.556400
  9.0214E+00 -3.6557E+00  8.6059E+00
Q               20    0.000000   -1.112800
  9.6391E+00 -3.0563E+00  8.4711E+00
OW              21   15.999000    0.000000
 -1.7364E+01  3.7845E+00 -1.0471E+00
HW              22    1.008000    0.556400
 -1.7020E+01  3.2714E+00 -1.7783E+00
HW              23    1.008000    0.556400
 -1.7885E+01  4.4731E+00 -1.4610E+00
Q               24    0.000000   -1.112800
 -1.7387E+01  3.8076E+00 -1.1982E+00
OW              25   15.999000    0.000000
 -6.2936E+00 -1.1546E+01 -7.5745E+00
HW              26    1.008000    0.556400
 -5.4112E+00 -1.1748E+01 -7.8856E+00
HW              27    1.008000    0.556400
 -6.2925E+00 -1.1817E+01 -6.6567E+00
Q               28    0.000000   -1.112800
 -6.1770E+00 -1.1608E+01 -7.4944E+00
OW              29   15.999000    0.000000
 -9.8013E+00  7.1068E+00 -3.1470E+00
HW              30    1.008000    0.556400
 -9.1434E+00  6.9338E+00 -3.8204E+00
HW              31    1.008000    0.556400
 -9.8916E+00  8.0597E+00 -3.1388E+00
Q               32    0.000000   -1.112800
 -9.7264E+00  7.2097E+00 -3.2348E+00
OW              33   15.999000    0.000000
  4.5306E+00  1.1933E+01 -7.1123E+00
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OW            1809   15.999000    0.000000
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HW            1811    1.008000    0.556400
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OW            1821   15.999000    0.000000
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HW            1823    1.008000    0.556400
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OW            1825   15.999000    0.000000
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HW            1827    1.008000    0.556400
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OW            1829   15.999000    0.000000
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HW            1830    1.008000    0.556400
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HW            1831    1.008000    0.556400
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OW            1833   15.999000    0.000000
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HW            1835    1.008000    0.556400
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OW            1837   15.999000    0.000000
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HW            1838    1.008000    0.556400
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OW            1841   15.999000    0.000000
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HW            1843    1.008000    0.556400
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OW            1845   15.999000    0.000000
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OW            1849   15.999000    0.000000
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OW            1853   15.999000    0.000000
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OW            1857   15.999000    0.000000
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HW            1859    1.008000    0.556400
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OW            1861   15.999000    0.000000
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HW            1862    1.008000    0.556400
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HW            1863    1.008000    0.556400
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Q             1864    0.000000   -1.112800
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OW            1865   15.999000    0.000000
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HW            1866    1.008000    0.556400
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HW            1867    1.008000    0.556400
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OW            1869   15.999000    0.000000
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HW            1870    1.008000    0.556400
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HW            1871    1.008000    0.556400
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OW            1873   15.999000    0.000000
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HW            1875    1.008000    0.556400
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OW            1877   15.999000    0.000000
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HW            1879    1.008000    0.556400
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Q             1880    0.000000   -1.112800
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OW            1881   15.999000    0.000000
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OW            1885   15.999000    0.000000
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HW            1886    1.008000    0.556400
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HW            1887    1.008000    0.556400
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Q             1888    0.000000   -1.112800
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OW            1889   15.999000    0.000000
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HW            1890    1.008000    0.556400
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HW            1891    1.008000    0.556400
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OW            1893   15.999000    0.000000
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HW            1894    1.008000    0.556400
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HW            1895    1.008000    0.556400
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OW            1897   15.999000    0.000000
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OW            1901   15.999000    0.000000
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HW            1902    1.008000    0.556400
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HW            1903    1.008000    0.556400
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OW            1905   15.999000    0.000000
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OW            1909   15.999000    0.000000
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Q             1912    0.000000   -1.112800
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OW            1913   15.999000    0.000000
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HW            1915    1.008000    0.556400
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Q             1916    0.000000   -1.112800
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OW            1917   15.999000    0.000000
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HW            1919    1.008000    0.556400
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Q             1920    0.000000   -1.112800
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OW            1921   15.999000    0.000000
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HW            1922    1.008000    0.556400
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HW            1923    1.008000    0.556400
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Q             1924    0.000000   -1.112800
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OW            1925   15.999000    0.000000
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HW            1926    1.008000    0.556400
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HW            1927    1.008000    0.556400
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Q             1928    0.000000   -1.112800
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OW            1929   15.999000    0.000000
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HW            1930    1.008000    0.556400
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HW            1931    1.008000    0.556400
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Q             1932    0.000000   -1.112800
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OW            1933   15.999000    0.000000
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HW            1934    1.008000    0.556400
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HW            1935    1.008000    0.556400
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Q             1936    0.000000   -1.112800
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OW            1937   15.999000    0.000000
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HW            1939    1.008000    0.556400
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Q             1940    0.000000   -1.112800
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OW            1941   15.999000    0.000000
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HW            1942    1.008000    0.556400
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HW            1943    1.008000    0.556400
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Q             1944    0.000000   -1.112800
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OW            1945   15.999000    0.000000
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HW            1946    1.008000    0.556400
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HW            1947    1.008000    0.556400
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Q             1948    0.000000   -1.112800
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OW            1949   15.999000    0.000000
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HW            1950    1.008000    0.556400
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HW            1951    1.008000    0.556400
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Q             1952    0.000000   -1.112800
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OW            1953   15.999000    0.000000
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Q             1956    0.000000   -1.112800
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OW            1957   15.999000    0.000000
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HW            1958    1.008000    0.556400
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HW            1959    1.008000    0.556400
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OW            1961   15.999000    0.000000
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HW            1963    1.008000    0.556400
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OW            1965   15.999000    0.000000
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HW            1967    1.008000    0.556400
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Q             1968    0.000000   -1.112800
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OW            1969   15.999000    0.000000
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HW            1971    1.008000    0.556400
  1.7262E+01  5.4114E+00  9.4959E+00
Q             1972    0.000000   -1.112800
  1.7188E+01  4.5624E+00  9.6771E+00
OW            1973   15.999000    0.000000
 -6.3565E+00 -1.1564E+01  9.7162E+00
HW            1974    1.008000    0.556400
 -5.9696E+00 -1.2437E+01  9.7757E+00
HW            1975    1.008000    0.556400
 -5.7105E+00 -1.0987E+01  1.0124E+01
Q             1976    0.000000   -1.112800
 -6.2202E+00 -1.1603E+01  9.7779E+00
OW            1977   15.999000    0.000000
 -1.5889E+01 -3.0176E+00 -9.4564E+00
HW            1978    1.008000    0.556400
 -1.5404E+01 -2.5228E+00 -1.0117E+01
HW            1979    1.008000    0.556400
 -1.5309E+01 -3.7445E+00 -9.2279E+00
Q             1980    0.000000   -1.112800
 -1.5748E+01 -3.0482E+00 -9.5134E+00
OW            1981   15.999000    0.000000
  3.6995E+00 -4.4587E+00 -6.1935E+00
HW            1982    1.008000    0.556400
  4.0067E+00 -4.8035E+00 -7.0319E+00
HW            1983    1.008000    0.556400
  3.3417E+00 -3.5965E+00 -6.4051E+00
Q             1984    0.000000   -1.112800
  3.6928E+00 -4.3904E+00 -6.3320E+00
OW            1985   15.999000    0.000000
  1.6864E+01  2.8821E+00  9.2618E-01
HW            1986    1.008000    0.556400
  1.7647E+01  2.9910E+00  3.8755E-01
HW            1987    1.008000    0.556400
  1.7099E+01  3.2621E+00  1.7725E+00
Q             1988    0.000000   -1.112800
  1.6998E+01  2.9466E+00  9.6678E-01
OW            1989   15.999000    0.000000
  8.2184E+00 -1.1070E+01 -2.7312E+00
HW            1990    1.008000    0.556400
  7.8436E+00 -1.1723E+01 -3.3227E+00
HW            1991    1.008000    0.556400
  8.9241E+00 -1.1533E+01 -2.2794E+00
Q             1992    0.000000   -1.112800
  8.2621E+00 -1.1217E+01 -2.7497E+00
OW            1993   15.999000    0.000000
  6.8523E+00 -4.3986E+00  1.4976E+00
HW            1994    1.008000    0.556400
  7.0030E+00 -5.3390E+00  1.4020E+00
HW            1995    1.008000    0.556400
  5.9002E+00 -4.3116E+00  1.5439E+00
Q             1996    0.000000   -1.112800
  6.7466E+00 -4.5112E+00  1.4911E+00
OW            1997   15.999000    0.000000
  1.1143E+01 -9.9284E+00  9.2599E-01
HW            1998    1.008000    0.556400
  1.1949E+01 -1.0431E+01  8.0586E-01
HW            1999    1.008000    0.556400
  1.0822E+01 -1.0193E+01  1.7878E+00
Q             2000    0.000000   -1.112800
  1.1207E+01 -1.0030E+01  1.0238E+00
CT            2001   12.011000    0.145000
  5.3567E+00 -2.9600E+00  1.7570E+01
OH            2002   15.999000   -0.698000
  4.3157E+00 -3.8149E+00 -1.8085E+01
HO            2003    1.008000    0.433000
  3.7266E+00 -3.3765E+00 -1.7485E+01
HC            2004    1.008000    0.040000
  5.7796E+00 -2.2985E+00 -1.7969E+01
HC            2005    1.008000    0.040000
  5.0270E+00 -2.2971E+00  1.6712E+01
HC            2006    1.008000    0.040000
  6.1574E+00 -3.5510E+00  1.7138E+01
CT            2007   12.011000    0.145000
 -3.7741E-01  1.4658E+01 -1.7436E+01
OH            2008   15.999000   -0.698000
  4.2128E-02  1.4857E+01 -1.6095E+01
HO            2009    1.008000    0.433000
 -2.8162E-01  1.5648E+01 -1.5665E+01
HC            2010    1.008000    0.040000
 -1.1130E-01  1.3775E+01 -1.7902E+01
HC            2011    1.008000    0.040000
 -3.1608E-02  1.5544E+01 -1.8096E+01
HC            2012    1.008000    0.040000
 -1.4695E+00  1.4815E+01 -1.7443E+01
CT            2013   12.011000    0.145000
 -1.3455E+01  2.4415E+00 -2.0922E+00
OH            2014   15.999000   -0.698000
 -1.3783E+01  1.1826E+00 -2.6981E+00
HO            2015    1.008000    0.433000
 -1.4000E+01  6.5241E-01 -1.9022E+00
HC            2016    1.008000    0.040000
 -1.4280E+01  2.9959E+00 -1.6094E+00
HC            2017    1.008000    0.040000
 -1.3021E+01  3.1023E+00 -2.7969E+00
HC            2018    1.008000    0.040000
 -1.2714E+01  2.1212E+00 -1.3397E+00
CT            2019   12.011000    0.145000
  8.0058E+00 -6.0423E+00 -1.2069E+01
OH            2020   15.999000   -0.698000
  8.1472E+00 -4.7226E+00 -1.1520E+01
HO            2021    1.008000    0.433000
  8.1257E+00 -4.0216E+00 -1.2181E+01
HC            2022    1.008000    0.040000
  8.6879E+00 -6.3493E+00 -1.2896E+01
HC            2023    1.008000    0.040000
  7.0427E+00 -6.2379E+00 -1.2512E+01
HC            2024    1.008000    0.040000
  8.0649E+00 -6.7742E+00 -1.1253E+01
CT            2025   12.011000    0.145000
  4.8920E+00 -3.0929E+00  7.6938E+00
OH            2026   15.999000   -0.698000
  5.2964E+00 -4.4206E+00  8.1601E+00
HO            2027    1.008000    0.433000
  4.6366E+00 -4.5427E+00  8.7886E+00
HC            2028    1.008000    0.040000
  4.1938E+00 -3.1099E+00  6.7742E+00
HC            2029    1.008000    0.040000
  5.8080E+00 -2.6051E+00  7.3455E+00
HC            2030    1.008000    0.040000
  4.5091E+00 -2.5442E+00  8.5191E+00
CT            2031   12.011000    0.145000
 -1.6994E+01 -9.3135E+00  4.1521E+00
OH            2032   15.999000   -0.698000
 -1.7806E+01 -1.0253E+01  3.6640E+00
HO            2033    1.008000    0.433000
 -1.7411E+01 -1.0749E+01  2.9979E+00
HC            2034    1.008000    0.040000
 -1.6764E+01 -8.6760E+00  3.2796E+00
HC            2035    1.008000    0.040000
 -1.6131E+01 -9.7860E+00  4.5892E+00
HC            2036    1.008000    0.040000
 -1.7366E+01 -8.6597E+00  4.9052E+00
CT            2037   12.011000    0.145000
  1.0403E+01 -6.8612E+00 -6.1414E+00
OH            2038   15.999000   -0.698000
  1.1724E+01 -7.2043E+00 -6.5360E+00
HO            2039    1.008000    0.433000
  1.2286E+01 -6.3968E+00 -6.3570E+00
HC            2040    1.008000    0.040000
  1.0360E+01 -6.5155E+00 -5.0699E+00
HC            2041    1.008000    0.040000
  9.6591E+00 -7.6187E+00 -6.4024E+00
HC            2042    1.008000    0.040000
  1.0251E+01 -5.9632E+00 -6.7541E+00
CT            2043   12.011000    0.145000
 -1.3427E+01  1.7075E+01  4.7392E+00
OH            2044   15.999000   -0.698000
 -1.2372E+01  1.7007E+01  3.8729E+00
HO            2045    1.008000    0.433000
 -1.1683E+01  1.6525E+01  4.3541E+00
HC            2046    1.008000    0.040000
 -1.4286E+01  1.7640E+01  4.4431E+00
HC            2047    1.008000    0.040000
 -1.3089E+01  1.7297E+01  5.7706E+00
HC            2048    1.008000    0.040000
 -1.3741E+01  1.6005E+01  4.7393E+00
CT            2049   12.011000    0.145000
  2.3563E+00 -1.0800E+01 -4.6510E+00
OH            2050   15.999000   -0.698000
  2.8854E+00 -9.7075E+00 -3.9624E+00
HO            2051    1.008000    0.433000
  2.8072E+00 -8.8889E+00 -4.4506E+00
HC            2052    1.008000    0.040000
  3.1499E+00 -1.1189E+01 -5.3398E+00
HC            2053    1.008000    0.040000
  1.4859E+00 -1.0529E+01 -5.1923E+00
HC            2054    1.008000    0.040000
  2.0864E+00 -1.1612E+01 -4.0444E+00
CT            2055   12.011000    0.145000
  4.7844E+00 -1.0323E+01  1.7886E+01
OH            2056   15.999000   -0.698000
  5.1890E+00 -1.1610E+01  1.7397E+01
HO            2057    1.008000    0.433000
  4.8268E+00 -1.2398E+01  1.7916E+01
HC            2058    1.008000    0.040000
  4.7765E+00 -1.0267E+01 -1.7266E+01
HC            2059    1.008000    0.040000
  3.7559E+00 -1.0336E+01  1.7471E+01
HC            2060    1.008000    0.040000
  5.3396E+00 -9.4836E+00  1.7446E+01
CT            2061   12.011000    0.145000
 -7.7170E+00 -5.8768E+00  1.7459E+01
OH            2062   15.999000   -0.698000
 -8.5872E+00 -4.9288E+00  1.6829E+01
HO            2063    1.008000    0.433000
 -8.0707E+00 -4.1350E+00  1.6640E+01
HC            2064    1.008000    0.040000
 -8.3947E+00 -6.6039E+00  1.7957E+01
HC            2065    1.008000    0.040000
 -7.0810E+00 -5.3756E+00 -1.8038E+01
HC            2066    1.008000    0.040000
 -7.1951E+00 -6.4112E+00  1.6634E+01
CT            2067   12.011000    0.145000
  3.2929E+00  1.4621E+01 -1.2478E+01
OH            2068   15.999000   -0.698000
  4.0463E+00  1.4248E+01 -1.3616E+01
HO            2069    1.008000    0.433000
  4.9002E+00  1.4628E+01 -1.3346E+01
HC            2070    1.008000    0.040000
  2.2342E+00  1.4516E+01 -1.2637E+01
HC            2071    1.008000    0.040000
  3.4999E+00  1.5686E+01 -1.2273E+01
HC            2072    1.008000    0.040000
  3.4537E+00  1.3888E+01 -1.1649E+01
CT            2073   12.011000    0.145000
  1.3196E+00  1.2383E+01  3.1647E+00
OH            2074   15.999000   -0.698000
  2.1778E+00  1.3021E+01  2.2158E+00
HO            2075    1.008000    0.433000
  3.0258E+00  1.3124E+01  2.6348E+00
HC            2076    1.008000    0.040000
  1.6208E+00  1.1353E+01  3.4454E+00
HC            2077    1.008000    0.040000
  2.7074E-01  1.2487E+01  2.7765E+00
HC            2078    1.008000    0.040000
  1.4099E+00  1.2956E+01  4.0199E+00
CT            2079   12.011000    0.145000
 -2.0882E+00 -1.3514E+01  1.4550E+01
OH            2080   15.999000   -0.698000
 -2.6413E+00 -1.2320E+01  1.4073E+01
HO            2081    1.008000    0.433000
 -2.3436E+00 -1.2158E+01  1.3157E+01
HC            2082    1.008000    0.040000
 -1.0013E+00 -1.3464E+01  1.4679E+01
HC            2083    1.008000    0.040000
 -2.3620E+00 -1.4293E+01  1.3879E+01
HC            2084    1.008000    0.040000
 -2.4148E+00 -1.3772E+01  1.5529E+01
CT            2085   12.011000    0.145000
  1.0424E+01 -2.5577E-01  1.0883E+01
OH            2086   15.999000   -0.698000
  1.0856E+01 -1.5797E+00  1.0838E+01
HO            2087    1.008000    0.433000
  1.0586E+01 -2.0368E+00  9.9993E+00
HC            2088    1.008000    0.040000
  1.0707E+01  1.7692E-01  1.1801E+01
HC            2089    1.008000    0.040000
  9.3200E+00 -3.7033E-01  1.0908E+01
HC            2090    1.008000    0.040000
  1.0785E+01  4.1233E-01  1.0047E+01
CT            2091   12.011000    0.145000
  1.6809E+01  1.2938E+01 -1.6895E+01
OH            2092   15.999000   -0.698000
  1.5443E+01  1.2726E+01 -1.7211E+01
HO            2093    1.008000    0.433000
  1.4925E+01  1.2653E+01 -1.6406E+01
HC            2094    1.008000    0.040000
  1.6910E+01  1.2915E+01 -1.5824E+01
HC            2095    1.008000    0.040000
  1.7167E+01  1.3948E+01 -1.7274E+01
HC            2096    1.008000    0.040000
  1.7324E+01  1.2213E+01 -1.7461E+01
CT            2097   12.011000    0.145000
  1.2688E+01  9.8960E-01  1.1476E+00
OH            2098   15.999000   -0.698000
  1.3774E+01  1.6383E-01  8.6107E-01
HO            2099    1.008000    0.433000
  1.4519E+01  3.1675E-01  1.4451E+00
HC            2100    1.008000    0.040000
  1.2305E+01  7.6471E-01  2.1541E+00
HC            2101    1.008000    0.040000
  1.1927E+01  7.3406E-01  4.4242E-01
HC            2102    1.008000    0.040000
  1.2882E+01  2.0631E+00  1.0705E+00
CT            2103   12.011000    0.145000
 -1.7738E+01 -5.6661E+00  9.7609E+00
OH            2104   15.999000   -0.698000
 -1.7630E+01 -4.6511E+00  8.7787E+00
HO            2105    1.008000    0.433000
  1.7719E+01 -4.3819E+00  8.5599E+00
HC            2106    1.008000    0.040000
 -1.6736E+01 -6.0563E+00  1.0007E+01
HC            2107    1.008000    0.040000
  1.7961E+01 -6.5490E+00  9.5060E+00
HC            2108    1.008000    0.040000
  1.8073E+01 -5.2911E+00  1.0611E+01
CT            2109   12.011000    0.145000
  1.0796E+01  1.6051E+01  1.0957E+01
OH            2110   15.999000   -0.698000
  1.1474E+01  1.6224E+01  1.2164E+01
HO            2111    1.008000    0.433000
  1.1431E+01  1.5390E+01  1.2632E+01
HC            2112    1.008000    0.040000
  1.0940E+01  1.6892E+01  1.0319E+01
HC            2113    1.008000    0.040000
  9.7039E+00  1.5846E+01  1.1077E+01
HC            2114    1.008000    0.040000
  1.1225E+01  1.5273E+01  1.0391E+01
CT            2115   12.011000    0.145000
  7.9748E+00  1.6408E+01  1.5856E+01
OH            2116   15.999000   -0.698000
  7.1979E+00  1.5245E+01  1.5879E+01
HO            2117    1.008000    0.433000
  6.3642E+00  1.5476E+01  1.6345E+01
HC            2118    1.008000    0.040000
  8.4079E+00  1.6727E+01  1.6772E+01
HC            2119    1.008000    0.040000
  7.4179E+00  1.7237E+01  1.5396E+01
HC            2120    1.008000    0.040000
  8.8938E+00  1.6173E+01  1.5384E+01
CT            2121   12.011000    0.145000
 -8.2603E+00  1.1572E+01  7.6938E+00
OH            2122   15.999000   -0.698000
 -6.9540E+00  1.1283E+01  8.2134E+00
HO            2123    1.008000    0.433000
 -6.4670E+00  1.0648E+01  7.6917E+00
HC            2124    1.008000    0.040000
 -8.2069E+00  1.1946E+01  6.6874E+00
HC            2125    1.008000    0.040000
 -8.7639E+00  1.2332E+01  8.3386E+00
HC            2126    1.008000    0.040000
 -8.8345E+00  1.0672E+01  7.6820E+00
CT            2127   12.011000    0.145000
  2.3358E+00  8.4152E+00  5.9071E+00
OH            2128   15.999000   -0.698000
  2.0790E+00  8.7282E+00  4.5298E+00
HO            2129    1.008000    0.433000
  1.2524E+00  9.1388E+00  4.4670E+00
HC            2130    1.008000    0.040000
  1.4891E+00  8.0438E+00  6.4495E+00
HC            2131    1.008000    0.040000
  2.7344E+00  9.2393E+00  6.4448E+00
HC            2132    1.008000    0.040000
  2.9799E+00  7.5289E+00  5.8472E+00
CT            2133   12.011000    0.145000
  1.1209E+01  2.1817E+00 -6.8158E+00
OH            2134   15.999000   -0.698000
  1.2498E+01  1.9444E+00 -7.3122E+00
HO            2135    1.008000    0.433000
  1.2561E+01  2.2877E+00 -8.2006E+00
HC            2136    1.008000    0.040000
  1.0903E+01  1.5908E+00 -5.9217E+00
HC            2137    1.008000    0.040000
  1.0499E+01  1.9109E+00 -7.5865E+00
HC            2138    1.008000    0.040000
  1.1086E+01  3.2201E+00 -6.5606E+00
CT            2139   12.011000    0.145000
 -2.7105E+00 -1.1920E+01  6.8131E+00
OH            2140   15.999000   -0.698000
 -1.9979E+00 -1.0661E+01  6.8372E+00
HO            2141    1.008000    0.433000
 -1.1299E+00 -1.0898E+01  7.1765E+00
HC            2142    1.008000    0.040000
 -3.7861E+00 -1.1790E+01  6.7767E+00
HC            2143    1.008000    0.040000
 -2.6129E+00 -1.2516E+01  7.6957E+00
HC            2144    1.008000    0.040000
 -2.3596E+00 -1.2462E+01  5.9766E+00
CT            2145   12.011000    0.145000
 -1.3047E+01 -6.0869E+00  5.8330E+00
OH            2146   15.999000   -0.698000
 -1.4231E+01 -6.1141E+00  5.1202E+00
HO            2147    1.008000    0.433000
 -1.4233E+01 -6.9461E+00  4.7247E+00
HC            2148    1.008000    0.040000
 -1.3226E+01 -6.7621E+00  6.6410E+00
HC            2149    1.008000    0.040000
 -1.2800E+01 -5.1384E+00  6.3236E+00
HC            2150    1.008000    0.040000
 -1.2203E+01 -6.5257E+00  5.3054E+00
CT            2151   12.011000    0.145000
 -3.1488E+00  5.4153E-01 -9.1161E+00
OH            2152   15.999000   -0.698000
 -3.8974E+00  1.5085E+00 -8.3367E+00
HO            2153    1.008000    0.433000
 -4.1443E+00  9.5538E-01 -7.5308E+00
HC            2154    1.008000    0.040000
 -3.5370E+00 -4.4162E-01 -9.0874E+00
HC            2155    1.008000    0.040000
 -2.0884E+00  5.4231E-01 -8.6846E+00
HC            2156    1.008000    0.040000
 -3.1156E+00  8.7003E-01 -1.0148E+01
CT            2157   12.011000    0.145000
 -1.4394E+01  2.8435E+00  4.0516E+00
OH            2158   15.999000   -0.698000
 -1.3807E+01  4.0966E+00  4.2630E+00
HO            2159    1.008000    0.433000
 -1.4211E+01  4.7017E+00  3.6141E+00
HC            2160    1.008000    0.040000
 -1.4200E+01  2.1738E+00  4.9017E+00
HC            2161    1.008000    0.040000
 -1.4044E+01  2.3402E+00  3.1373E+00
HC            2162    1.008000    0.040000
 -1.5447E+01  2.9900E+00  3.9854E+00
CT            2163   12.011000    0.145000
  6.1640E+00  6.0612E+00  1.1574E+01
OH            2164   15.999000   -0.698000
  7.5966E+00  6.1546E+00  1.1477E+01
HO            2165    1.008000    0.433000
  7.8486E+00  6.3817E+00  1.0582E+01
HC            2166    1.008000    0.040000
  5.5711E+00  6.9550E+00  1.1424E+01
HC            2167    1.008000    0.040000
  6.0041E+00  5.6557E+00  1.2576E+01
HC            2168    1.008000    0.040000
  5.8372E+00  5.3089E+00  1.0888E+01
CT            2169   12.011000    0.145000
 -1.9525E+00  1.7621E+01 -1.5794E+01
OH            2170   15.999000   -0.698000
 -1.0380E+00  1.6926E+01 -1.5049E+01
HO            2171    1.008000    0.433000
 -1.5862E+00  1.6612E+01 -1.4298E+01
HC            2172    1.008000    0.040000
 -1.7421E+00  1.7840E+01 -1.6785E+01
HC            2173    1.008000    0.040000
 -2.3146E+00 -1.7748E+01 -1.5231E+01
HC            2174    1.008000    0.040000
 -2.8808E+00  1.7034E+01 -1.5861E+01
CT            2175   12.011000    0.145000
  7.7729E+00  1.7547E+01  9.4157E+00
OH            2176   15.999000   -0.698000
  8.7621E+00 -1.7902E+01  8.7205E+00
HO            2177    1.008000    0.433000
  9.1376E+00 -1.7328E+01  9.4087E+00
HC            2178    1.008000    0.040000
  7.2856E+00  1.6935E+01  8.7489E+00
HC            2179    1.008000    0.040000
  7.0499E+00 -1.8093E+01  9.9439E+00
HC            2180    1.008000    0.040000
  8.1751E+00  1.6906E+01  1.0115E+01
CT            2181   12.011000    0.145000
  1.5118E+01 -1.2263E+01 -1.7630E+01
OH            2182   15.999000   -0.698000
  1.6380E+01 -1.2809E+01 -1.7312E+01
HO            2183    1.008000    0.433000
  1.6894E+01 -1.2625E+01 -1.8050E+01
HC            2184    1.008000    0.040000
  1.4981E+01 -1.1224E+01 -1.7348E+01
HC            2185    1.008000    0.040000
  1.4354E+01 -1.2952E+01 -1.7191E+01
HC            2186    1.008000    0.040000
  1.5111E+01 -1.2332E+01  1.7520E+01
CT            2187   12.011000    0.145000
  9.0877E+00 -1.0923E+01  4.3480E+00
OH            2188   15.999000   -0.698000
  9.9513E+00 -1.1275E+01  3.2683E+00
HO            2189    1.008000    0.433000
  1.0757E+01 -1.1541E+01  3.6880E+00
HC            2190    1.008000    0.040000
  9.6395E+00 -1.0454E+01  5.1795E+00
HC            2191    1.008000    0.040000
  8.4850E+00 -1.1693E+01  4.7369E+00
HC            2192    1.008000    0.040000
  8.3592E+00 -1.0173E+01  3.9968E+00
CT            2193   12.011000    0.145000
 -1.5868E+01 -9.4064E+00 -1.4152E+00
OH            2194   15.999000   -0.698000
 -1.6601E+01 -9.1917E+00 -1.3673E-01
HO            2195    1.008000    0.433000
 -1.6819E+01 -8.2668E+00 -7.2798E-03
HC            2196    1.008000    0.040000
 -1.5347E+01 -8.4968E+00 -1.4069E+00
HC            2197    1.008000    0.040000
 -1.6506E+01 -9.3739E+00 -2.3555E+00
HC            2198    1.008000    0.040000
 -1.5177E+01 -1.0313E+01 -1.2033E+00
CT            2199   12.011000    0.145000
 -1.0258E+01  1.5756E+01  1.3362E+00
OH            2200   15.999000   -0.698000
 -1.0173E+01  1.4829E+01  2.8009E-01
HO            2201    1.008000    0.433000
 -1.0101E+01  1.5282E+01 -6.2320E-01
HC            2202    1.008000    0.040000
 -9.2675E+00  1.5963E+01  1.6236E+00
HC            2203    1.008000    0.040000
 -1.0632E+01  1.5379E+01  2.2384E+00
HC            2204    1.008000    0.040000
 -1.0775E+01  1.6688E+01  1.2178E+00
CT            2205   12.011000    0.145000
  1.0588E+01  1.5159E+01  7.5061E+00
OH            2206   15.999000   -0.698000
  1.1302E+01  1.3927E+01  7.4900E+00
HO            2207    1.008000    0.433000
  1.2095E+01  1.3970E+01  6.9588E+00
HC            2208    1.008000    0.040000
  1.1249E+01  1.5918E+01  7.9760E+00
HC            2209    1.008000    0.040000
  9.5700E+00  1.5093E+01  7.9215E+00
HC            2210    1.008000    0.040000
  1.0466E+01  1.5484E+01  6.5042E+00
CT            2211   12.011000    0.145000
 -1.2287E+01 -1.2601E+01 -1.0353E+01
OH            2212   15.999000   -0.698000
 -1.0985E+01 -1.2287E+01 -9.9478E+00
HO            2213    1.008000    0.433000
 -1.0480E+01 -1.3088E+01 -9.8887E+00
HC            2214    1.008000    0.040000
 -1.2221E+01 -1.3277E+01 -1.1276E+01
HC            2215    1.008000    0.040000
 -1.2934E+01 -1.1718E+01 -1.0531E+01
HC            2216    1.008000    0.040000
 -1.2835E+01 -1.3208E+01 -9.6165E+00
CT            2217   12.011000    0.145000
  1.5379E+00 -1.3047E+01  1.5953E+01
OH            2218   15.999000   -0.698000
  1.4478E+00 -1.4314E+01  1.6593E+01
HO            2219    1.008000    0.433000
  7.1921E-01 -1.4306E+01  1.7154E+01
HC            2220    1.008000    0.040000
  1.8493E+00 -1.2263E+01  1.6664E+01
HC            2221    1.008000    0.040000
  5.1987E-01 -1.2758E+01  1.5646E+01
HC            2222    1.008000    0.040000
  2.3817E+00 -1.2967E+01  1.5260E+01
CT            2223   12.011000    0.145000
  1.5401E+01 -1.3520E+01  9.8906E+00
OH            2224   15.999000   -0.698000
  1.4999E+01 -1.2822E+01  8.7219E+00
HO            2225    1.008000    0.433000
  1.5698E+01 -1.2195E+01  8.5958E+00
HC            2226    1.008000    0.040000
  1.4714E+01 -1.4395E+01  9.9033E+00
HC            2227    1.008000    0.040000
  1.5323E+01 -1.2852E+01  1.0760E+01
HC            2228    1.008000    0.040000
  1.6438E+01 -1.3857E+01  9.8399E+00
CT            2229   12.011000    0.145000
 -7.2405E+00  1.0674E+01  1.1483E+01
OH            2230   15.999000   -0.698000
 -7.5499E+00  9.8829E+00  1.0383E+01
HO            2231    1.008000    0.433000
 -7.4419E+00  1.0435E+01  9.6068E+00
HC            2232    1.008000    0.040000
 -6.1651E+00  1.0900E+01  1.1409E+01
HC            2233    1.008000    0.040000
 -7.5127E+00  1.0234E+01  1.2469E+01
HC            2234    1.008000    0.040000
 -7.7701E+00  1.1630E+01  1.1387E+01
CT            2235   12.011000    0.145000
 -1.8083E+01  1.8080E+01 -6.7467E+00
OH            2236   15.999000   -0.698000
  1.7159E+01 -1.8051E+01 -5.7608E+00
HO            2237    1.008000    0.433000
  1.7489E+01 -1.7449E+01 -5.0880E+00
HC            2238    1.008000    0.040000
 -1.7206E+01  1.7804E+01 -6.2501E+00
HC            2239    1.008000    0.040000
 -1.8031E+01 -1.7263E+01 -7.3080E+00
HC            2240    1.008000    0.040000
  1.7920E+01  1.7177E+01 -7.3508E+00
CT            2241   12.011000    0.145000
  1.9405E+00  8.2104E+00 -8.1612E+00
OH            2242   15.999000   -0.698000
  1.2533E+00  9.0095E+00 -9.0115E+00
HO            2243    1.008000    0.433000
  1.9053E+00  9.2484E+00 -9.6695E+00
HC            2244    1.008000    0.040000
  1.3443E+00  7.9232E+00 -7.2694E+00
HC            2245    1.008000    0.040000
  2.9038E+00  8.6386E+00 -7.9275E+00
HC            2246    1.008000    0.040000
  2.0585E+00  7.3071E+00 -8.6872E+00
CT            2247   12.011000    0.145000
  9.6417E+00  5.8712E+00 -1.3215E+01
OH            2248   15.999000   -0.698000
  9.1092E+00  5.3125E+00 -1.2036E+01
HO            2249    1.008000    0.433000
  9.3284E+00  4.3696E+00 -1.2012E+01
HC            2250    1.008000    0.040000
  1.0711E+01  6.1006E+00 -1.3149E+01
HC            2251    1.008000    0.040000
  9.2181E+00  6.8318E+00 -1.3384E+01
HC            2252    1.008000    0.040000
  9.5455E+00  5.1974E+00 -1.4097E+01
CT            2253   12.011000    0.145000
 -1.1284E+01  6.5659E+00 -1.0166E+01
OH            2254   15.999000   -0.698000
 -1.0334E+01  6.8126E+00 -1.1141E+01
HO            2255    1.008000    0.433000
 -9.4794E+00  6.7700E+00 -1.0718E+01
HC            2256    1.008000    0.040000
 -1.1368E+01  5.4469E+00 -1.0070E+01
HC            2257    1.008000    0.040000
 -1.2273E+01  6.9463E+00 -1.0392E+01
HC            2258    1.008000    0.040000
 -1.1075E+01  6.8957E+00 -9.1595E+00
CT            2259   12.011000    0.145000
 -4.3523E+00  9.0241E+00  1.8028E+01
OH            2260   15.999000   -0.698000
 -4.8338E+00  1.0283E+01  1.7690E+01
HO            2261    1.008000    0.433000
 -4.3215E+00  1.0904E+01  1.8111E+01
HC            2262    1.008000    0.040000
 -4.7421E+00  8.2601E+00  1.7388E+01
HC            2263    1.008000    0.040000
 -4.6781E+00  8.7819E+00 -1.7159E+01
HC            2264    1.008000    0.040000
 -3.2621E+00  8.9697E+00  1.7993E+01
CT            2265   12.011000    0.145000
  1.8083E+01  1.6721E+01  7.0509E+00
OH            2266   15.999000   -0.698000
 -1.8072E+01  1.5874E+01  8.1544E+00
HO            2267    1.008000    0.433000
 -1.7428E+01  1.6211E+01  8.8111E+00
HC            2268    1.008000    0.040000
  1.7270E+01  1.6287E+01  6.4652E+00
HC            2269    1.008000    0.040000
 -1.7246E+01  1.6870E+01  6.3732E+00
HC            2270    1.008000    0.040000
  1.7778E+01  1.7679E+01  7.4070E+00
CT            2271   12.011000    0.145000
 -7.6860E+00  8.2646E+00  1.5747E+01
OH            2272   15.999000   -0.698000
 -8.0137E+00  6.8417E+00  1.5633E+01
HO            2273    1.008000    0.433000
 -7.6874E+00  6.4938E+00  1.4817E+01
HC            2274    1.008000    0.040000
 -8.1682E+00  8.6594E+00  1.6600E+01
HC            2275    1.008000    0.040000
 -8.0768E+00  8.7735E+00  1.4898E+01
HC            2276    1.008000    0.040000
 -6.5907E+00  8.3361E+00  1.5775E+01
CT            2277   12.011000    0.145000
 -6.7812E-01 -7.5403E+00 -1.1598E+01
OH            2278   15.999000   -0.698000
 -5.3731E-01 -7.0060E+00 -1.0293E+01
HO            2279    1.008000    0.433000
  3.3262E-01 -6.8512E+00 -9.9747E+00
HC            2280    1.008000    0.040000
 -1.6610E+00 -7.3284E+00 -1.2015E+01
HC            2281    1.008000    0.040000
 -6.1615E-01 -8.6018E+00 -1.1530E+01
HC            2282    1.008000    0.040000
  1.1654E-01 -7.1585E+00 -1.2221E+01
CT            2283   12.011000    0.145000
 -7.6473E+00  1.5485E+00  8.0097E+00
OH            2284   15.999000   -0.698000
 -7.1264E+00  2.8126E+00  8.2244E+00
HO            2285    1.008000    0.433000
 -7.7513E+00  3.5464E+00  8.4190E+00
HC            2286    1.008000    0.040000
 -8.7218E+00  1.5359E+00  8.0519E+00
HC            2287    1.008000    0.040000
 -7.3629E+00  8.5075E-01  8.8616E+00
HC            2288    1.008000    0.040000
 -7.2756E+00  1.2173E+00  7.0765E+00
CT            2289   12.011000    0.145000
 -9.2694E+00 -6.8372E+00 -8.3647E+00
OH            2290   15.999000   -0.698000
 -1.0032E+01 -6.8746E+00 -9.5804E+00
HO            2291    1.008000    0.433000
 -9.6684E+00 -7.6407E+00 -1.0125E+01
HC            2292    1.008000    0.040000
 -9.2930E+00 -7.7558E+00 -7.7812E+00
HC            2293    1.008000    0.040000
 -9.4990E+00 -5.9499E+00 -7.6845E+00
HC            2294    1.008000    0.040000
 -8.2449E+00 -6.8006E+00 -8.6700E+00
CT            2295   12.011000    0.145000
 -1.5246E+01 -1.1415E+01  1.2472E+01
OH            2296   15.999000   -0.698000
 -1.6478E+01 -1.1130E+01  1.1857E+01
HO            2297    1.008000    0.433000
 -1.6660E+01 -1.0171E+01  1.1848E+01
HC            2298    1.008000    0.040000
 -1.4397E+01 -1.0876E+01  1.2053E+01
HC            2299    1.008000    0.040000
 -1.5011E+01 -1.2525E+01  1.2479E+01
HC            2300    1.008000    0.040000
 -1.5246E+01 -1.1031E+01  1.3498E+01
CT            2301   12.011000    0.145000
  1.0554E+01 -6.5335E+00  1.3768E+01
OH            2302   15.999000   -0.698000
  1.1239E+01 -7.0666E+00  1.2662E+01
HO            2303    1.008000    0.433000
  1.0608E+01 -6.9571E+00  1.1988E+01
HC            2304    1.008000    0.040000
  1.1185E+01 -6.6337E+00  1.4645E+01
HC            2305    1.008000    0.040000
  9.5999E+00 -7.0932E+00  1.3883E+01
HC            2306    1.008000    0.040000
  1.0224E+01 -5.5335E+00  1.3598E+01
CT            2307   12.011000    0.145000
 -1.5762E+01  7.3112E+00 -7.0272E+00
OH            2308   15.999000   -0.698000
 -1.5638E+01  6.5392E+00 -5.9205E+00
HO            2309    1.008000    0.433000
 -1.4805E+01  6.0958E+00 -5.9303E+00
HC            2310    1.008000    0.040000
 -1.5737E+01  6.7605E+00 -7.9743E+00
HC            2311    1.008000    0.040000
 -1.4989E+01  8.1227E+00 -7.0436E+00
HC            2312    1.008000    0.040000
 -1.6774E+01  7.8791E+00 -6.9995E+00
CT            2313   12.011000    0.145000
  1.2013E+00 -8.0376E+00  1.6816E+01
OH            2314   15.999000   -0.698000
  1.8296E+00 -8.0276E+00  1.8077E+01
HO            2315    1.008000    0.433000
  2.5731E+00 -7.4188E+00  1.8014E+01
HC            2316    1.008000    0.040000
  1.8902E+00 -8.3582E+00  1.6037E+01
HC            2317    1.008000    0.040000
  6.3497E-01 -7.1399E+00  1.6482E+01
HC            2318    1.008000    0.040000
  5.1154E-01 -8.8512E+00  1.7016E+01
CT            2319   12.011000    0.145000
  1.4253E+01  1.4034E+01 -2.2075E+00
OH            2320   15.999000   -0.698000
  1.4299E+01  1.3820E+01 -8.0560E-01
HO            2321    1.008000    0.433000
  1.4293E+01  1.4664E+01 -3.0735E-01
HC            2322    1.008000    0.040000
  1.3320E+01  1.4274E+01 -2.5834E+00
HC            2323    1.008000    0.040000
  1.4404E+01  1.3160E+01 -2.8529E+00
HC            2324    1.008000    0.040000
  1.4879E+01  1.4829E+01 -2.4935E+00
CT            2325   12.011000    0.145000
  5.1277E-01 -2.3385E+00  1.0246E+01
OH            2326   15.999000   -0.698000
  5.9845E-01 -3.7121E+00  1.0754E+01
HO            2327    1.008000    0.433000
 -2.8041E-01 -3.9498E+00  1.1127E+01
HC            2328    1.008000    0.040000
  5.6363E-02 -2.0956E+00  9.3069E+00
HC            2329    1.008000    0.040000
  1.5470E+00 -2.1020E+00  9.9528E+00
HC            2330    1.008000    0.040000
  3.3066E-01 -1.5494E+00  1.1036E+01
CT            2331   12.011000    0.145000
  1.5373E+01  3.2121E+00 -1.7070E+01
OH            2332   15.999000   -0.698000
  1.6348E+01  2.6492E+00 -1.8031E+01
HO            2333    1.008000    0.433000
  1.6818E+01  2.0156E+00 -1.7486E+01
HC            2334    1.008000    0.040000
  1.5067E+01  4.2193E+00 -1.7445E+01
HC            2335    1.008000    0.040000
  1.5765E+01  3.3829E+00 -1.6058E+01
HC            2336    1.008000    0.040000
  1.4458E+01  2.5742E+00 -1.7008E+01
CT            2337   12.011000    0.145000
  1.0594E+01 -6.6845E+00  6.2349E+00
OH            2338   15.999000   -0.698000
  9.3142E+00 -6.1525E+00  5.8389E+00
HO            2339    1.008000    0.433000
  9.5525E+00 -5.2580E+00  5.6194E+00
HC            2340    1.008000    0.040000
  1.0833E+01 -7.6276E+00  5.7362E+00
HC            2341    1.008000    0.040000
  1.0716E+01 -6.7901E+00  7.3208E+00
HC            2342    1.008000    0.040000
  1.1381E+01 -6.0239E+00  5.9674E+00
CT            2343   12.011000    0.145000
  9.8399E+00  1.7289E+01 -1.6269E+01
OH            2344   15.999000   -0.698000
  9.9475E+00  1.7370E+01 -1.7656E+01
HO            2345    1.008000    0.433000
  1.0791E+01  1.6933E+01 -1.7823E+01
HC            2346    1.008000    0.040000
  8.7825E+00  1.7254E+01 -1.6100E+01
HC            2347    1.008000    0.040000
  1.0313E+01 -1.8117E+01 -1.5720E+01
HC            2348    1.008000    0.040000
  1.0197E+01  1.6381E+01 -1.5834E+01
CT            2349   12.011000    0.145000
 -9.6377E+00  1.3971E+01 -5.5274E+00
OH            2350   15.999000   -0.698000
 -1.0877E+01  1.3266E+01 -5.6247E+00
HO            2351    1.008000    0.433000
 -1.0799E+01  1.2618E+01 -4.8605E+00
HC            2352    1.008000    0.040000
 -9.5750E+00  1.4504E+01 -4.5718E+00
HC            2353    1.008000    0.040000
 -9.6259E+00  1.4707E+01 -6.3318E+00
HC            2354    1.008000    0.040000
 -8.7956E+00  1.3313E+01 -5.5896E+00
CT            2355   12.011000    0.145000
 -9.4182E-01 -6.9211E+00  1.0864E+01
OH            2356   15.999000   -0.698000
 -7.8493E-01 -8.0505E+00  9.9961E+00
HO            2357    1.008000    0.433000
 -1.6468E+00 -8.2881E+00  9.6907E+00
HC            2358    1.008000    0.040000
 -7.6200E-02 -6.6914E+00  1.1439E+01
HC            2359    1.008000    0.040000
 -1.7865E+00 -7.0525E+00  1.1528E+01
HC            2360    1.008000    0.040000
 -1.1288E+00 -6.0460E+00  1.0297E+01
CT            2361   12.011000    0.145000
 -7.4578E+00 -6.4203E+00 -3.5024E+00
OH            2362   15.999000   -0.698000
 -8.0341E+00 -6.5749E+00 -4.7505E+00
HO            2363    1.008000    0.433000
 -8.8314E+00 -7.0577E+00 -4.6517E+00
HC            2364    1.008000    0.040000
 -7.3818E+00 -5.3800E+00 -3.2216E+00
HC            2365    1.008000    0.040000
 -6.4795E+00 -7.0469E+00 -3.3947E+00
HC            2366    1.008000    0.040000
 -8.1094E+00 -6.8651E+00 -2.7309E+00
CT            2367   12.011000    0.145000
  2.8876E+00 -9.4420E+00 -1.2029E+01
OH            2368   15.999000   -0.698000
  3.8351E+00 -9.8317E+00 -1.2991E+01
HO            2369    1.008000    0.433000
  4.5329E+00 -9.1573E+00 -1.3079E+01
HC            2370    1.008000    0.040000
  2.3827E+00 -8.5355E+00 -1.2279E+01
HC            2371    1.008000    0.040000
  3.3044E+00 -9.2463E+00 -1.1026E+01
HC            2372    1.008000    0.040000
  2.1528E+00 -1.0274E+01 -1.1973E+01
CT            2373   12.011000    0.145000
  1.7754E+01  1.4305E+01  2.4722E-01
OH            2374   15.999000   -0.698000
 -1.7090E+01  1.4338E+01  1.2947E-01
HO            2375    1.008000    0.433000
 -1.6759E+01  1.3467E+01  3.5345E-01
HC            2376    1.008000    0.040000
  1.7315E+01  1.3404E+01 -2.5849E-02
HC            2377    1.008000    0.040000
  1.7323E+01  1.5047E+01 -3.8132E-01
HC            2378    1.008000    0.040000
  1.7468E+01  1.4605E+01  1.2563E+00
CT            2379   12.011000    0.145000
  8.7056E+00  1.3816E+01 -1.7885E+01
OH            2380   15.999000   -0.698000
  7.4850E+00  1.4038E+01 -1.7253E+01
HO            2381    1.008000    0.433000
  7.3515E+00  1.3228E+01 -1.6662E+01
HC            2382    1.008000    0.040000
  9.4899E+00  1.3445E+01 -1.7285E+01
HC            2383    1.008000    0.040000
  9.0379E+00  1.4681E+01  1.7855E+01
HC            2384    1.008000    0.040000
  8.5788E+00  1.3131E+01  1.7627E+01
CT            2385   12.011000    0.145000
 -1.6628E+01  1.0290E+00  1.3081E+00
OH            2386   15.999000   -0.698000
 -1.6186E+01 -3.4081E-01  1.3961E+00
HO            2387    1.008000    0.433000
 -1.6731E+01 -9.3103E-01  1.9328E+00
HC            2388    1.008000    0.040000
 -1.6384E+01  1.6240E+00  2.1298E+00
HC            2389    1.008000    0.040000
 -1.7712E+01  9.7237E-01  1.0497E+00
HC            2390    1.008000    0.040000
 -1.6114E+01  1.4730E+00  4.6256E-01
CT            2391   12.011000    0.145000
  2.1125E+00 -5.4279E-01 -1.0240E+01
OH            2392   15.999000   -0.698000
  3.0747E+00 -1.1030E+00 -9.3677E+00
HO            2393    1.008000    0.433000
  3.9214E+00 -1.1510E+00 -9.9151E+00
HC            2394    1.008000    0.040000
  2.1699E+00 -1.0908E+00 -1.1194E+01
HC            2395    1.008000    0.040000
  2.3736E+00  5.4022E-01 -1.0324E+01
HC            2396    1.008000    0.040000
  1.0986E+00 -4.7895E-01 -9.7631E+00
CT            2397   12.011000    0.145000
  1.5505E+01 -1.8871E+00 -1.0448E+01
OH            2398   15.999000   -0.698000
  1.6747E+01 -1.2309E+00 -1.0332E+01
HO            2399    1.008000    0.433000
  1.7145E+01 -1.6345E+00 -9.5147E+00
HC            2400    1.008000    0.040000
  1.4765E+01 -1.4317E+00 -1.1087E+01
HC            2401    1.008000    0.040000
  1.4975E+01 -2.0852E+00 -9.4791E+00
HC            2402    1.008000    0.040000
  1.5661E+01 -2.9360E+00 -1.0816E+01
CT            2403   12.011000    0.145000
  6.0913E+00  4.9258E+00 -6.1066E+00
OH            2404   15.999000   -0.698000
  5.2098E+00  6.0019E+00 -6.4202E+00
HO            2405    1.008000    0.433000
  4.3344E+00  5.5482E+00 -6.4380E+00
HC            2406    1.008000    0.040000
  5.6808E+00  4.1349E+00 -5.4229E+00
HC            2407    1.008000    0.040000
  7.0706E+00  5.2531E+00 -5.8621E+00
HC            2408    1.008000    0.040000
  6.2502E+00  4.3360E+00 -7.0206E+00
CT            2409   12.011000    0.145000
  1.1905E+01 -5.5679E+00 -1.1028E+01
OH            2410   15.999000   -0.698000
  1.1560E+01 -6.6965E+00 -1.0247E+01
HO            2411    1.008000    0.433000
  1.1021E+01 -6.3705E+00 -9.5118E+00
HC            2412    1.008000    0.040000
  1.0997E+01 -5.0057E+00 -1.1239E+01
HC            2413    1.008000    0.040000
  1.2348E+01 -5.8563E+00 -1.2001E+01
HC            2414    1.008000    0.040000
  1.2435E+01 -4.8119E+00 -1.0470E+01
CT            2415   12.011000    0.145000
 -5.3816E+00 -1.2491E+01 -1.0352E+01
OH            2416   15.999000   -0.698000
 -4.6638E+00 -1.3241E+01 -9.3845E+00
HO            2417    1.008000    0.433000
 -5.1165E+00 -1.4083E+01 -9.2803E+00
HC            2418    1.008000    0.040000
 -5.3636E+00 -1.2819E+01 -1.1386E+01
HC            2419    1.008000    0.040000
 -5.0980E+00 -1.1449E+01 -1.0311E+01
HC            2420    1.008000    0.040000
 -6.4167E+00 -1.2545E+01 -1.0104E+01
CT            2421   12.011000    0.145000
 -1.0831E+01  8.7266E+00 -6.3457E+00
OH            2422   15.999000   -0.698000
 -1.1202E+01  7.6145E+00 -5.5716E+00
HO            2423    1.008000    0.433000
 -1.0425E+01  7.0575E+00 -5.2726E+00
HC            2424    1.008000    0.040000
 -9.7732E+00  8.5326E+00 -6.7367E+00
HC            2425    1.008000    0.040000
 -1.0865E+01  9.5671E+00 -5.6890E+00
HC            2426    1.008000    0.040000
 -1.1511E+01  8.8253E+00 -7.1842E+00
CT            2427   12.011000    0.145000
  1.7665E+01  3.6960E+00  4.3997E+00
OH            2428   15.999000   -0.698000
 -1.8118E+01  4.0779E+00  3.1039E+00
HO            2429    1.008000    0.433000
 -1.7980E+01  5.0306E+00  3.1832E+00
HC            2430    1.008000    0.040000
 -1.7776E+01  3.6609E+00  5.1801E+00
HC            2431    1.008000    0.040000
  1.7200E+01  2.7049E+00  4.3830E+00
HC            2432    1.008000    0.040000
  1.6939E+01  4.3349E+00  4.7726E+00
CT            2433   12.011000    0.145000
  9.2149E+00 -5.0572E+00 -9.2542E-01
OH            2434   15.999000   -0.698000
  8.4184E+00 -3.8417E+00 -7.5676E-01
HO            2435    1.008000    0.433000
  7.8594E+00 -4.0894E+00 -2.1589E-02
HC            2436    1.008000    0.040000
  9.2710E+00 -5.4852E+00  5.7433E-02
HC            2437    1.008000    0.040000
  1.0249E+01 -4.7761E+00 -1.3490E+00
HC            2438    1.008000    0.040000
  8.6872E+00 -5.8322E+00 -1.5727E+00
CT            2439   12.011000    0.145000
 -9.2671E+00  1.7074E+01 -1.5796E+01
OH            2440   15.999000   -0.698000
 -9.1811E+00  1.6598E+01 -1.7120E+01
HO            2441    1.008000    0.433000
 -9.6075E+00  1.5711E+01 -1.7133E+01
HC            2442    1.008000    0.040000
 -8.4382E+00  1.6852E+01 -1.5211E+01
HC            2443    1.008000    0.040000
 -9.9798E+00  1.6539E+01 -1.5150E+01
HC            2444    1.008000    0.040000
 -9.5707E+00 -1.8093E+01 -1.5711E+01
CT            2445   12.011000    0.145000
 -1.7446E+00 -8.2707E+00 -1.5244E+01
OH            2446   15.999000   -0.698000
 -2.2034E+00 -6.9624E+00 -1.5357E+01
HO            2447    1.008000    0.433000
 -3.1222E+00 -6.8851E+00 -1.5274E+01
HC            2448    1.008000    0.040000
 -2.3589E+00 -8.6507E+00 -1.4389E+01
HC            2449    1.008000    0.040000
 -6.5711E-01 -8.2889E+00 -1.4951E+01
HC            2450    1.008000    0.040000
 -1.9172E+00 -8.8938E+00 -1.6165E+01
CT            2451   12.011000    0.145000
  6.1803E+00  1.3727E+01  7.3512E+00
OH            2452   15.999000   -0.698000
  6.8480E+00  1.3188E+01  8.4564E+00
HO            2453    1.008000    0.433000
  6.1416E+00  1.2747E+01  8.9544E+00
HC            2454    1.008000    0.040000
  6.8773E+00  1.4101E+01  6.6900E+00
HC            2455    1.008000    0.040000
  5.5215E+00  1.4604E+01  7.5795E+00
HC            2456    1.008000    0.040000
  5.6223E+00  1.2966E+01  6.9670E+00
CT            2457   12.011000    0.145000
  1.1581E+01  9.2228E+00 -1.3641E+01
OH            2458   15.999000   -0.698000
  1.0230E+01  9.5812E+00 -1.3495E+01
HO            2459    1.008000    0.433000
  1.0041E+01  9.4695E+00 -1.2523E+01
HC            2460    1.008000    0.040000
  1.1892E+01  9.1023E+00 -1.4677E+01
HC            2461    1.008000    0.040000
  1.1490E+01  8.2032E+00 -1.3207E+01
HC            2462    1.008000    0.040000
  1.2139E+01  9.7806E+00 -1.2953E+01
CT            2463   12.011000    0.145000
  6.7890E+00 -1.4737E+01 -1.7888E+00
OH            2464   15.999000   -0.698000
  7.7163E+00 -1.5253E+01 -2.6751E+00
HO            2465    1.008000    0.433000
  7.3235E+00 -1.5992E+01 -3.1083E+00
HC            2466    1.008000    0.040000
  5.8726E+00 -1.4536E+01 -2.3145E+00
HC            2467    1.008000    0.040000
  7.0994E+00 -1.3887E+01 -1.1892E+00
HC            2468    1.008000    0.040000
  6.4754E+00 -1.5635E+01 -1.1092E+00
CT            2469   12.011000    0.145000
  1.4679E+01 -1.5360E+01 -9.8063E-01
OH            2470   15.999000   -0.698000
  1.3499E+01 -1.5352E+01 -1.7980E+00
HO            2471    1.008000    0.433000
  1.3831E+01 -1.5188E+01 -2.6565E+00
HC            2472    1.008000    0.040000
  1.5377E+01 -1.6157E+01 -1.2548E+00
HC            2473    1.008000    0.040000
  1.4534E+01 -1.5659E+01  6.2252E-03
HC            2474    1.008000    0.040000
  1.5207E+01 -1.4380E+01 -1.1293E+00
CT            2475   12.011000    0.145000
  1.6136E+01 -1.8766E+00 -4.4391E-01
OH            2476   15.999000   -0.698000
  1.5980E+01 -2.0872E+00 -1.8162E+00
HO            2477    1.008000    0.433000
  1.5269E+01 -2.7080E+00 -1.8893E+00
HC            2478    1.008000    0.040000
  1.5157E+01 -1.9296E+00 -8.4496E-03
HC            2479    1.008000    0.040000
  1.6519E+01 -8.9379E-01 -3.5641E-01
HC            2480    1.008000    0.040000
  1.6849E+01 -2.5293E+00 -4.4545E-03
CT            2481   12.011000    0.145000
 -2.6542E-01  1.5635E+01  3.2526E+00
OH            2482   15.999000   -0.698000
 -7.4430E-01  1.5417E+01  4.5718E+00
HO            2483    1.008000    0.433000
  5.3561E-02  1.5132E+01  5.1091E+00
HC            2484    1.008000    0.040000
  1.9085E-01  1.4740E+01  2.8524E+00
HC            2485    1.008000    0.040000
  3.5658E-01  1.6511E+01  3.1470E+00
HC            2486    1.008000    0.040000
 -1.0890E+00  1.5843E+01  2.5218E+00
CT            2487   12.011000    0.145000
  6.3308E+00 -4.4500E+00 -4.1713E+00
OH            2488   15.999000   -0.698000
  7.5915E+00 -5.1271E+00 -4.5225E+00
HO            2489    1.008000    0.433000
  7.5668E+00 -5.9628E+00 -4.0886E+00
HC            2490    1.008000    0.040000
  5.5953E+00 -5.1304E+00 -4.5963E+00
HC            2491    1.008000    0.040000
  6.1494E+00 -3.4542E+00 -4.5014E+00
HC            2492    1.008000    0.040000
  6.2554E+00 -4.3465E+00 -3.0653E+00
CT            2493   12.011000    0.145000
 -1.1030E+01 -3.3760E+00  4.5220E+00
OH            2494   15.999000   -0.698000
 -9.7031E+00 -3.5991E+00  4.9773E+00
HO            2495    1.008000    0.433000
 -9.1479E+00 -3.7689E+00  4.2136E+00
HC            2496    1.008000    0.040000
 -1.1122E+01 -2.5728E+00  3.8256E+00
HC            2497    1.008000    0.040000
 -1.1723E+01 -3.3666E+00  5.3444E+00
HC            2498    1.008000    0.040000
 -1.1288E+01 -4.2250E+00  3.9712E+00
CT            2499   12.011000    0.145000
  1.4709E+01 -9.5246E+00  1.0640E+01
OH            2500   15.999000   -0.698000
  1.4418E+01 -9.6965E+00  9.2564E+00
HO            2501    1.008000    0.433000
  1.3765E+01 -1.0402E+01  9.2774E+00
HC            2502    1.008000    0.040000
  1.3838E+01 -9.7561E+00  1.1315E+01
HC            2503    1.008000    0.040000
  1.4992E+01 -8.4745E+00  1.0809E+01
HC            2504    1.008000    0.040000
  1.5555E+01 -1.0091E+01  1.0989E+01
CT            2505   12.011000    0.145000
 -4.6730E+00  5.5667E+00 -5.5411E+00
OH            2506   15.999000   -0.698000
 -4.8990E+00  6.9265E+00 -5.6156E+00
HO            2507    1.008000    0.433000
 -4.0500E+00  7.2853E+00 -5.8056E+00
HC            2508    1.008000    0.040000
 -4.0045E+00  5.3282E+00 -6.3663E+00
HC            2509    1.008000    0.040000
 -5.4824E+00  4.8996E+00 -5.6446E+00
HC            2510    1.008000    0.040000
 -4.1371E+00  5.2979E+00 -4.5774E+00
CT            2511   12.011000    0.145000
 -1.3667E+01  1.6242E+01  2.8783E-01
OH            2512   15.999000   -0.698000
 -1.3673E+01  1.5064E+01 -5.6143E-01
HO            2513    1.008000    0.433000
 -1.3811E+01  1.4287E+01  2.0466E-02
HC            2514    1.008000    0.040000
 -1.4651E+01  1.6438E+01  5.9112E-01
HC            2515    1.008000    0.040000
 -1.3204E+01  1.7035E+01 -3.3018E-01
HC            2516    1.008000    0.040000
 -1.3206E+01  1.6100E+01  1.3019E+00
CT            2517   12.011000    0.145000
 -2.5395E+00 -5.8675E+00  1.4823E+01
OH            2518   15.999000   -0.698000
 -2.3963E+00 -4.5080E+00  1.5228E+01
HO            2519    1.008000    0.433000
 -2.7022E+00 -4.5146E+00  1.6097E+01
HC            2520    1.008000    0.040000
 -1.9440E+00 -6.6067E+00  1.5423E+01
HC            2521    1.008000    0.040000
 -2.1299E+00 -5.8754E+00  1.3787E+01
HC            2522    1.008000    0.040000
 -3.5936E+00 -6.1203E+00  1.4731E+01
CT            2523   12.011000    0.145000
  7.8822E+00 -5.3400E-01  4.5061E-01
OH            2524   15.999000   -0.698000
  7.0688E+00  6.1987E-01  3.1007E-01
HO            2525    1.008000    0.433000
  7.6438E+00  1.3267E+00  4.8412E-01
HC            2526    1.008000    0.040000
  8.6034E+00 -6.2624E-01 -3.6447E-01
HC            2527    1.008000    0.040000
  7.3410E+00 -1.4584E+00  4.3994E-01
HC            2528    1.008000    0.040000
  8.4059E+00 -5.9473E-01  1.3781E+00
CT            2529   12.011000    0.145000
  1.1897E+01  1.2942E+01 -1.4983E+01
OH            2530   15.999000   -0.698000
  1.3096E+01  1.3143E+01 -1.5652E+01
HO            2531    1.008000    0.433000
  1.3622E+01  1.3853E+01 -1.5302E+01
HC            2532    1.008000    0.040000
  1.1069E+01  1.3414E+01 -1.5437E+01
HC            2533    1.008000    0.040000
  1.1918E+01  1.3114E+01 -1.3898E+01
HC            2534    1.008000    0.040000
  1.1676E+01  1.1911E+01 -1.5086E+01
CT            2535   12.011000    0.145000
 -7.3273E-01 -2.0392E+00 -1.5426E+01
OH            2536   15.999000   -0.698000
  1.8085E-01 -1.3806E+00 -1.6314E+01
HO            2537    1.008000    0.433000
 -3.0112E-01 -8.5042E-01 -1.6862E+01
HC            2538    1.008000    0.040000
 -1.3905E+00 -2.7282E+00 -1.6007E+01
HC            2539    1.008000    0.040000
 -1.3542E+00 -1.4897E+00 -1.4773E+01
HC            2540    1.008000    0.040000
 -1.6188E-01 -2.8124E+00 -1.4868E+01
CT            2541   12.011000    0.145000
 -8.4091E+00  4.9407E+00  4.1828E+00
OH            2542   15.999000   -0.698000
 -7.5803E+00  5.7741E+00  5.0245E+00
HO            2543    1.008000    0.433000
 -8.1337E+00  6.4987E+00  5.2950E+00
HC            2544    1.008000    0.040000
 -9.3512E+00  4.6976E+00  4.7031E+00
HC            2545    1.008000    0.040000
 -8.0794E+00  3.9304E+00  4.0032E+00
HC            2546    1.008000    0.040000
 -8.6346E+00  5.3778E+00  3.2075E+00
CT            2547   12.011000    0.145000
 -8.9856E+00 -1.3791E+01 -1.2324E+01
OH            2548   15.999000   -0.698000
 -8.8581E+00 -1.4909E+01 -1.1466E+01
HO            2549    1.008000    0.433000
 -8.0682E+00 -1.4854E+01 -1.0866E+01
HC            2550    1.008000    0.040000
 -8.0286E+00 -1.3570E+01 -1.2806E+01
HC            2551    1.008000    0.040000
 -9.2375E+00 -1.2905E+01 -1.1853E+01
HC            2552    1.008000    0.040000
 -9.6650E+00 -1.3973E+01 -1.3142E+01
CT            2553   12.011000    0.145000
 -1.5800E+01 -1.5579E+01  8.6778E+00
OH            2554   15.999000   -0.698000
 -1.4569E+01 -1.6147E+01  8.2492E+00
HO            2555    1.008000    0.433000
 -1.4052E+01 -1.5450E+01  7.8243E+00
HC            2556    1.008000    0.040000
 -1.6378E+01 -1.4956E+01  7.9562E+00
HC            2557    1.008000    0.040000
 -1.5541E+01 -1.5026E+01  9.5592E+00
HC            2558    1.008000    0.040000
 -1.6595E+01 -1.6327E+01  8.9936E+00
CT            2559   12.011000    0.145000
  1.7104E+01  1.6538E+01 -1.1506E+01
OH            2560   15.999000   -0.698000
 -1.7873E+01  1.6096E+01 -1.1872E+01
HO            2561    1.008000    0.433000
 -1.7841E+01  1.5948E+01 -1.2831E+01
HC            2562    1.008000    0.040000
  1.6969E+01  1.6295E+01 -1.0479E+01
HC            2563    1.008000    0.040000
  1.6269E+01  1.6027E+01 -1.1982E+01
HC            2564    1.008000    0.040000
  1.6944E+01  1.7719E+01 -1.1655E+01
CT            2565   12.011000    0.145000
 -8.8381E+00  3.4602E+00 -1.3656E+01
OH            2566   15.999000   -0.698000
 -9.8334E+00  2.8499E+00 -1.4440E+01
HO            2567    1.008000    0.433000
 -1.0162E+01  2.0747E+00 -1.4046E+01
HC            2568    1.008000    0.040000
 -9.3026E+00  3.9724E+00 -1.2803E+01
HC            2569    1.008000    0.040000
 -8.5187E+00  4.2168E+00 -1.4382E+01
HC            2570    1.008000    0.040000
 -7.9714E+00  2.8127E+00 -1.3353E+01
CT            2571   12.011000    0.145000
 -7.9735E+00  4.7083E+00 -2.1169E+00
OH            2572   15.999000   -0.698000
 -7.6357E+00  3.7874E+00 -1.0369E+00
HO            2573    1.008000    0.433000
 -7.9267E+00  2.9314E+00 -1.3876E+00
HC            2574    1.008000    0.040000
 -8.9962E+00  4.4725E+00 -2.4245E+00
HC            2575    1.008000    0.040000
 -7.3050E+00  4.9124E+00 -2.9645E+00
HC            2576    1.008000    0.040000
 -7.9179E+00  5.6889E+00 -1.6008E+00
CT            2577   12.011000    0.145000
 -4.1590E+00 -1.0252E+01 -3.1500E+00
OH            2578   15.999000   -0.698000
 -4.3621E+00 -1.0160E+01 -4.5421E+00
HO            2579    1.008000    0.433000
 -4.5046E+00 -9.1990E+00 -4.7152E+00
HC            2580    1.008000    0.040000
 -4.1423E+00 -1.1303E+01 -2.8476E+00
HC            2581    1.008000    0.040000
 -4.9947E+00 -9.7447E+00 -2.7116E+00
HC            2582    1.008000    0.040000
 -3.3234E+00 -9.8036E+00 -2.6699E+00
CT            2583   12.011000    0.145000
  2.5851E+00 -1.7497E+01 -8.3644E+00
OH            2584   15.999000   -0.698000
  1.4863E+00  1.7839E+01 -8.6283E+00
HO            2585    1.008000    0.433000
  6.8932E-01 -1.7895E+01 -8.8594E+00
HC            2586    1.008000    0.040000
  2.6956E+00 -1.6657E+01 -9.1156E+00
HC            2587    1.008000    0.040000
  3.5620E+00 -1.8112E+01 -8.4598E+00
HC            2588    1.008000    0.040000
  2.5652E+00 -1.6998E+01 -7.3927E+00
CT            2589   12.011000    0.145000
 -1.2924E+01 -6.6762E-01 -7.8994E+00
OH            2590   15.999000   -0.698000
 -1.2564E+01 -4.1934E-01 -9.2261E+00
HO            2591    1.008000    0.433000
 -1.3023E+01 -1.1268E+00 -9.6692E+00
HC            2592    1.008000    0.040000
 -1.4050E+01 -4.6697E-01 -7.8063E+00
HC            2593    1.008000    0.040000
 -1.2375E+01 -1.7871E-01 -7.1458E+00
HC            2594    1.008000    0.040000
 -1.2751E+01 -1.7088E+00 -7.8098E+00
CT            2595   12.011000    0.145000
  1.4509E+01 -8.3918E+00 -4.3904E+00
OH            2596   15.999000   -0.698000
  1.5327E+01 -9.4705E+00 -4.1128E+00
HO            2597    1.008000    0.433000
  1.4817E+01 -9.9892E+00 -3.4187E+00
HC            2598    1.008000    0.040000
  1.3507E+01 -8.6959E+00 -4.7515E+00
HC            2599    1.008000    0.040000
  1.4937E+01 -7.7850E+00 -5.1446E+00
HC            2600    1.008000    0.040000
  1.4397E+01 -7.8648E+00 -3.4198E+00
CT            2601   12.011000    0.145000
 -1.2301E+01  5.4345E+00 -1.6023E+01
OH            2602   15.999000   -0.698000
 -1.3415E+01  5.0164E+00 -1.6810E+01
HO            2603    1.008000    0.433000
 -1.4120E+01  5.0340E+00 -1.6155E+01
HC            2604    1.008000    0.040000
 -1.1369E+01  5.2538E+00 -1.6519E+01
HC            2605    1.008000    0.040000
 -1.2300E+01  4.8461E+00 -1.5117E+01
HC            2606    1.008000    0.040000
 -1.2342E+01  6.4680E+00 -1.5568E+01
CT            2607   12.011000    0.145000
 -5.2573E+00  2.9416E+00 -1.1630E+01
OH            2608   15.999000   -0.698000
 -4.4408E+00  2.4142E+00 -1.2693E+01
HO            2609    1.008000    0.433000
 -4.6489E+00  1.5077E+00 -1.2792E+01
HC            2610    1.008000    0.040000
 -5.3769E+00  4.0363E+00 -1.1600E+01
HC            2611    1.008000    0.040000
 -4.8330E+00  2.7485E+00 -1.0592E+01
HC            2612    1.008000    0.040000
 -6.2880E+00  2.5667E+00 -1.1732E+01
CT            2613   12.011000    0.145000
  8.5326E+00 -1.2298E+01 -1.7831E+01
OH            2614   15.999000   -0.698000
  9.7034E+00 -1.2640E+01 -1.7101E+01
HO            2615    1.008000    0.433000
  9.4310E+00 -1.2675E+01 -1.6215E+01
HC            2616    1.008000    0.040000
  8.4583E+00 -1.2849E+01  1.7466E+01
HC            2617    1.008000    0.040000
  8.5640E+00 -1.1133E+01 -1.8066E+01
HC            2618    1.008000    0.040000
  7.7026E+00 -1.2562E+01 -1.7240E+01
CT            2619   12.011000    0.145000
  8.5760E+00 -1.5985E+01  1.7504E+01
OH            2620   15.999000   -0.698000
  9.7529E+00 -1.6157E+01 -1.7989E+01
HO            2621    1.008000    0.433000
  9.7988E+00 -1.7092E+01 -1.7823E+01
HC            2622    1.008000    0.040000
  8.7042E+00 -1.6775E+01  1.6803E+01
HC            2623    1.008000    0.040000
  8.4843E+00 -1.5038E+01  1.7168E+01
HC            2624    1.008000    0.040000
  7.6192E+00 -1.6216E+01  1.8011E+01
CT            2625   12.011000    0.145000
 -1.4191E+01 -1.7062E+01 -8.0414E+00
OH            2626   15.999000   -0.698000
 -1.5604E+01 -1.7100E+01 -7.9972E+00
HO            2627    1.008000    0.433000
 -1.5820E+01 -1.7690E+01 -8.6887E+00
HC            2628    1.008000    0.040000
 -1.3715E+01 -1.6610E+01 -7.1178E+00
HC            2629    1.008000    0.040000
 -1.3831E+01 -1.6529E+01 -8.9426E+00
HC            2630    1.008000    0.040000
 -1.3877E+01 -1.8111E+01 -8.0673E+00
CT            2631   12.011000    0.145000
 -1.0933E+01  1.7436E+01  1.2883E+01
OH            2632   15.999000   -0.698000
 -1.1193E+01 -1.7558E+01  1.3509E+01
HO            2633    1.008000    0.433000
 -1.0449E+01 -1.6936E+01  1.3257E+01
HC            2634    1.008000    0.040000
 -1.0010E+01  1.7059E+01  1.3189E+01
HC            2635    1.008000    0.040000
 -1.0830E+01  1.7495E+01  1.1803E+01
HC            2636    1.008000    0.040000
 -1.1693E+01  1.6749E+01  1.3128E+01
CT            2637   12.011000    0.145000
  5.7439E+00 -4.9640E-01 -2.3719E+00
OH            2638   15.999000   -0.698000
  5.5465E+00  7.6906E-01 -1.6747E+00
HO            2639    1.008000    0.433000
  6.1598E+00  7.3659E-01 -8.8775E-01
HC            2640    1.008000    0.040000
  5.6903E+00 -1.3751E+00 -1.6465E+00
HC            2641    1.008000    0.040000
  6.6644E+00 -5.4873E-01 -2.8578E+00
HC            2642    1.008000    0.040000
  5.0442E+00 -5.7611E-01 -3.2194E+00
CT            2643   12.011000    0.145000
  1.2499E+00 -1.6452E+01  1.1496E+01
OH            2644   15.999000   -0.698000
  3.0313E-01 -1.5572E+01  1.2045E+01
HO            2645    1.008000    0.433000
  2.0879E-01 -1.5724E+01  1.3051E+01
HC            2646    1.008000    0.040000
  2.2475E+00 -1.6148E+01  1.1720E+01
HC            2647    1.008000    0.040000
  1.2608E+00 -1.6415E+01  1.0414E+01
HC            2648    1.008000    0.040000
  1.1117E+00 -1.7492E+01  1.1744E+01
CT            2649   12.011000    0.145000
 -1.2229E+01  9.9558E-01  1.5541E+01
OH            2650   15.999000   -0.698000
 -1.1389E+01 -8.2396E-02  1.6014E+01
HO            2651    1.008000    0.433000
 -1.1415E+01 -9.0352E-01  1.5498E+01
HC            2652    1.008000    0.040000
 -1.2285E+01  1.6789E+00  1.6332E+01
HC            2653    1.008000    0.040000
 -1.3249E+01  6.7372E-01  1.5274E+01
HC            2654    1.008000    0.040000
 -1.1671E+01  1.3718E+00  1.4661E+01
CT            2655   12.011000    0.145000
 -1.2853E+01 -1.2818E+01  9.9895E+00
OH            2656   15.999000   -0.698000
 -1.1919E+01 -1.1755E+01  1.0329E+01
HO            2657    1.008000    0.433000
 -1.1834E+01 -1.1828E+01  1.1270E+01
HC            2658    1.008000    0.040000
 -1.2835E+01 -1.2736E+01  8.9419E+00
HC            2659    1.008000    0.040000
 -1.3840E+01 -1.2590E+01  1.0373E+01
HC            2660    1.008000    0.040000
 -1.2577E+01 -1.3811E+01  1.0313E+01
CT            2661   12.011000    0.145000
  1.3900E+01 -2.6087E+00  1.4882E+01
OH            2662   15.999000   -0.698000
  1.3743E+01 -3.4090E+00  1.3719E+01
HO            2663    1.008000    0.433000
  1.2962E+01 -3.1296E+00  1.3312E+01
HC            2664    1.008000    0.040000
  1.4861E+01 -2.9456E+00  1.5279E+01
HC            2665    1.008000    0.040000
  1.3139E+01 -2.8715E+00  1.5650E+01
HC            2666    1.008000    0.040000
  1.3799E+01 -1.4888E+00  1.4655E+01
CT            2667   12.011000    0.145000
 -1.7567E+01  7.5503E+00  4.5870E+00
OH            2668   15.999000   -0.698000
 -1.7152E+01  6.9442E+00  3.3523E+00
HO            2669    1.008000    0.433000
 -1.7657E+01  7.3742E+00  2.6317E+00
HC            2670    1.008000    0.040000
  1.7650E+01  7.2470E+00  4.7722E+00
HC            2671    1.008000    0.040000
 -1.7487E+01  8.6309E+00  4.6203E+00
HC            2672    1.008000    0.040000
 -1.6972E+01  7.1984E+00  5.4816E+00
CT            2673   12.011000    0.145000
  1.3091E+01  1.6263E+01 -1.4866E+01
OH            2674   15.999000   -0.698000
  1.4081E+01  1.5415E+01 -1.4302E+01
HO            2675    1.008000    0.433000
  1.3907E+01  1.5339E+01 -1.3364E+01
HC            2676    1.008000    0.040000
  1.2673E+01  1.6895E+01 -1.4056E+01
HC            2677    1.008000    0.040000
  1.2332E+01  1.5673E+01 -1.5296E+01
HC            2678    1.008000    0.040000
  1.3595E+01  1.6969E+01 -1.5596E+01
CT            2679   12.011000    0.145000
 -1.6552E+01 -1.6946E+01  8.8358E-01
OH            2680   15.999000   -0.698000
 -1.5930E+01 -1.7205E+01 -3.6662E-01
HO            2681    1.008000    0.433000
 -1.6046E+01 -1.8078E+01 -7.7189E-01
HC            2682    1.008000    0.040000
 -1.6519E+01 -1.7795E+01  1.5332E+00
HC            2683    1.008000    0.040000
 -1.7628E+01 -1.6784E+01  6.9644E-01
HC            2684    1.008000    0.040000
 -1.6227E+01 -1.6103E+01  1.4086E+00
CT            2685   12.011000    0.145000
  1.3702E+01  1.7670E+01 -2.1170E-01
OH            2686   15.999000   -0.698000
  1.4719E+01  1.6711E+01 -5.4385E-01
HO            2687    1.008000    0.433000
  1.5482E+01  1.7202E+01 -7.9529E-01
HC            2688    1.008000    0.040000
  1.2785E+01  1.7154E+01  1.0633E-01
HC            2689    1.008000    0.040000
  1.3527E+01 -1.7947E+01 -1.0697E+00
HC            2690    1.008000    0.040000
  1.4082E+01 -1.8007E+01  6.4839E-01
CT            2691   12.011000    0.145000
 -1.5238E+01 -5.1459E+00  1.7492E+01
OH            2692   15.999000   -0.698000
 -1.5899E+01 -4.1843E+00 -1.7971E+01
HO            2693    1.008000    0.433000
 -1.6769E+01 -4.1258E+00  1.7909E+01
HC            2694    1.008000    0.040000
 -1.4357E+01 -5.5745E+00  1.7903E+01
HC            2695    1.008000    0.040000
 -1.4926E+01 -4.6681E+00  1.6592E+01
HC            2696    1.008000    0.040000
 -1.5876E+01 -5.9686E+00  1.7187E+01
CT            2697   12.011000    0.145000
  2.0299E-01  5.0619E+00 -7.1523E-01
OH            2698   15.999000   -0.698000
  6.8761E-01  4.0306E+00  9.7868E-02
HO            2699    1.008000    0.433000
  6.8971E-02  3.3580E+00 -1.0845E-01
HC            2700    1.008000    0.040000
 -5.3232E-01  5.5921E+00 -2.0615E-01
HC            2701    1.008000    0.040000
 -2.9311E-01  4.5758E+00 -1.5550E+00
HC            2702    1.008000    0.040000
  9.3269E-01  5.7406E+00 -1.1900E+00
CT            2703   12.011000    0.145000
 -1.7499E+01 -8.2093E+00 -1.5181E+01
OH            2704   15.999000   -0.698000
 -1.6757E+01 -7.7180E+00 -1.6355E+01
HO            2705    1.008000    0.433000
 -1.6006E+01 -7.2607E+00 -1.5908E+01
HC            2706    1.008000    0.040000
 -1.6843E+01 -7.8618E+00 -1.4403E+01
HC            2707    1.008000    0.040000
 -1.7647E+01 -9.2843E+00 -1.5190E+01
HC            2708    1.008000    0.040000
  1.7849E+01 -7.5782E+00 -1.4878E+01
CT            2709   12.011000    0.145000
  1.4555E+01 -6.7647E+00 -1.3547E+01
OH            2710   15.999000   -0.698000
  1.3736E+01 -5.9814E+00 -1.4455E+01
HO            2711    1.008000    0.433000
  1.3347E+01 -6.6142E+00 -1.5117E+01
HC            2712    1.008000    0.040000
  1.4839E+01 -6.0611E+00 -1.2761E+01
HC            2713    1.008000    0.040000
  1.5296E+01 -7.2696E+00 -1.4107E+01
HC            2714    1.008000    0.040000
  1.3915E+01 -7.5334E+00 -1.3115E+01
CT            2715   12.011000    0.145000
  2.3347E-01  4.8536E+00  4.8873E+00
OH            2716   15.999000   -0.698000
 -9.4235E-01  3.9992E+00  5.0053E+00
HO            2717    1.008000    0.433000
 -8.1871E-01  3.2447E+00  4.3906E+00
HC            2718    1.008000    0.040000
  1.2014E+00  4.4743E+00  5.2620E+00
HC            2719    1.008000    0.040000
  2.4268E-02  5.6281E+00  5.6352E+00
HC            2720    1.008000    0.040000
  2.9120E-01  5.3175E+00  3.9371E+00
CT            2721   12.011000    0.145000
 -7.6924E+00  6.5001E+00 -1.7205E+01
OH            2722   15.999000   -0.698000
 -8.0360E+00  7.1542E+00 -1.6066E+01
HO            2723    1.008000    0.433000
 -7.1879E+00  7.3889E+00 -1.5700E+01
HC            2724    1.008000    0.040000
 -7.1349E+00  7.1058E+00 -1.7896E+01
HC            2725    1.008000    0.040000
 -8.6373E+00  6.2222E+00 -1.7716E+01
HC            2726    1.008000    0.040000
 -7.0105E+00  5.5888E+00 -1.7046E+01
CT            2727   12.011000    0.145000
 -1.4546E+01  9.5630E+00  4.1490E+00
OH            2728   15.999000   -0.698000
 -1.4536E+01  8.9656E+00  5.4348E+00
HO            2729    1.008000    0.433000
 -1.4580E+01  7.9586E+00  5.4489E+00
HC            2730    1.008000    0.040000
 -1.4682E+01  1.0644E+01  4.1777E+00
HC            2731    1.008000    0.040000
 -1.5316E+01  9.1530E+00  3.4478E+00
HC            2732    1.008000    0.040000
 -1.3562E+01  9.4109E+00  3.6651E+00
CT            2733   12.011000    0.145000
 -1.6866E+01 -1.2605E+01  1.6402E+01
OH            2734   15.999000   -0.698000
 -1.7816E+01 -1.3611E+01  1.6189E+01
HO            2735    1.008000    0.433000
 -1.7537E+01 -1.4529E+01  1.6349E+01
HC            2736    1.008000    0.040000
 -1.6228E+01 -1.2825E+01  1.7233E+01
HC            2737    1.008000    0.040000
 -1.7340E+01 -1.1552E+01  1.6433E+01
HC            2738    1.008000    0.040000
 -1.6138E+01 -1.2656E+01  1.5640E+01
CT            2739   12.011000    0.145000
 -1.2181E+00  7.1579E+00 -1.1457E+01
OH            2740   15.999000   -0.698000
 -1.5197E+00  6.3979E+00 -1.2712E+01
HO            2741    1.008000    0.433000
 -1.7062E+00  7.0852E+00 -1.3407E+01
HC            2742    1.008000    0.040000
 -7.5191E-01  6.3806E+00 -1.0739E+01
HC            2743    1.008000    0.040000
 -2.0885E+00  7.6559E+00 -1.0995E+01
HC            2744    1.008000    0.040000
 -4.4694E-01  7.9206E+00 -1.1618E+01
CT            2745   12.011000    0.145000
  1.7088E+01  7.1611E+00  7.1958E-01
OH            2746   15.999000   -0.698000
  1.7954E+01  8.1143E+00  1.3489E+00
HO            2747    1.008000    0.433000
  1.7447E+01  8.9575E+00  1.5010E+00
HC            2748    1.008000    0.040000
  1.7548E+01  6.1769E+00  5.3382E-01
HC            2749    1.008000    0.040000
  1.6861E+01  7.4929E+00 -2.9412E-01
HC            2750    1.008000    0.040000
  1.6187E+01  7.0724E+00  1.3702E+00
CT            2751   12.011000    0.145000
  2.3772E+00  3.0717E+00 -1.2447E+01
OH            2752   15.999000   -0.698000
  1.3415E+00  3.9111E+00 -1.1893E+01
HO            2753    1.008000    0.433000
  5.9318E-01  3.9421E+00 -1.2537E+01
HC            2754    1.008000    0.040000
  3.0912E+00  2.6236E+00 -1.1727E+01
HC            2755    1.008000    0.040000
  2.9985E+00  3.6660E+00 -1.3083E+01
HC            2756    1.008000    0.040000
  1.9370E+00  2.1955E+00 -1.2912E+01
CT            2757   12.011000    0.145000
 -2.9585E+00  1.5027E+01 -4.0326E+00
OH            2758   15.999000   -0.698000
 -4.0446E+00  1.4532E+01 -3.3755E+00
HO            2759    1.008000    0.433000
 -3.9225E+00  1.3576E+01 -3.5558E+00
HC            2760    1.008000    0.040000
 -3.1829E+00  1.4914E+01 -5.0689E+00
HC            2761    1.008000    0.040000
 -2.0496E+00  1.4503E+01 -3.6959E+00
HC            2762    1.008000    0.040000
 -2.8199E+00  1.6145E+01 -3.7469E+00
CT            2763   12.011000    0.145000
 -2.4866E+00  1.1487E+01 -6.6163E+00
OH            2764   15.999000   -0.698000
 -1.8516E+00  1.1677E+01 -5.4266E+00
HO            2765    1.008000    0.433000
 -1.2424E+00  1.0935E+01 -5.3407E+00
HC            2766    1.008000    0.040000
 -1.7468E+00  1.1450E+01 -7.3417E+00
HC            2767    1.008000    0.040000
 -3.2442E+00  1.2198E+01 -6.8718E+00
HC            2768    1.008000    0.040000
 -3.0176E+00  1.0504E+01 -6.5224E+00
CT            2769   12.011000    0.145000
 -3.4839E+00 -3.8083E+00  6.8318E+00
OH            2770   15.999000   -0.698000
 -4.7127E+00 -3.1540E+00  7.0048E+00
HO            2771    1.008000    0.433000
 -4.7978E+00 -2.7642E+00  6.1355E+00
HC            2772    1.008000    0.040000
 -3.3750E+00 -4.5490E+00  7.6573E+00
HC            2773    1.008000    0.040000
 -2.5878E+00 -3.2389E+00  6.7662E+00
HC            2774    1.008000    0.040000
 -3.6637E+00 -4.3417E+00  5.9484E+00
CT            2775   12.011000    0.145000
 -4.7933E+00  3.4068E+00  1.0283E+01
OH            2776   15.999000   -0.698000
 -5.4485E+00  2.1620E+00  1.0186E+01
HO            2777    1.008000    0.433000
 -6.1460E+00  2.2066E+00  9.4928E+00
HC            2778    1.008000    0.040000
 -5.4452E+00  4.1488E+00  1.0597E+01
HC            2779    1.008000    0.040000
 -4.1923E+00  3.6153E+00  9.3192E+00
HC            2780    1.008000    0.040000
 -4.0238E+00  3.2980E+00  1.1032E+01
CT            2781   12.011000    0.145000
  1.0607E+01 -9.6306E+00  1.7080E+01
OH            2782   15.999000   -0.698000
  1.1760E+01 -1.0059E+01  1.7682E+01
HO            2783    1.008000    0.433000
  1.2089E+01 -9.4119E+00 -1.7943E+01
HC            2784    1.008000    0.040000
  1.0740E+01 -9.0852E+00  1.6127E+01
HC            2785    1.008000    0.040000
  1.0079E+01 -9.0566E+00  1.7739E+01
HC            2786    1.008000    0.040000
  1.0054E+01 -1.0503E+01  1.6716E+01
CT            2787   12.011000    0.145000
 -1.6895E+01 -7.9268E-01 -1.8500E+00
OH            2788   15.999000   -0.698000
 -1.7741E+01 -1.3462E+00 -2.8371E+00
HO            2789    1.008000    0.433000
  1.7677E+01 -1.5533E+00 -2.4004E+00
HC            2790    1.008000    0.040000
 -1.7282E+01  2.2156E-01 -1.7006E+00
HC            2791    1.008000    0.040000
 -1.5852E+01 -7.5353E-01 -2.1186E+00
HC            2792    1.008000    0.040000
 -1.7104E+01 -1.4844E+00 -9.9397E-01
CT            2793   12.011000    0.145000
 -1.1307E+01 -1.2050E+01 -1.5224E+01
OH            2794   15.999000   -0.698000
 -1.2031E+01 -1.1648E+01 -1.4099E+01
HO            2795    1.008000    0.433000
 -1.2429E+01 -1.2484E+01 -1.3835E+01
HC            2796    1.008000    0.040000
 -1.1922E+01 -1.2436E+01 -1.6071E+01
HC            2797    1.008000    0.040000
 -1.0572E+01 -1.2818E+01 -1.4909E+01
HC            2798    1.008000    0.040000
 -1.0795E+01 -1.1247E+01 -1.5689E+01
CT            2799   12.011000    0.145000
 -5.4751E+00  8.6230E+00  3.5799E+00
OH            2800   15.999000   -0.698000
 -5.8257E+00  9.8519E+00  4.0327E+00
HO            2801    1.008000    0.433000
 -6.1544E+00  9.7894E+00  4.9122E+00
HC            2802    1.008000    0.040000
 -5.3701E+00  8.8759E+00  2.5227E+00
HC            2803    1.008000    0.040000
 -6.2745E+00  7.8758E+00  3.6770E+00
HC            2804    1.008000    0.040000
 -4.5508E+00  8.3741E+00  4.0814E+00
CT            2805   12.011000    0.145000
  1.6872E+01 -5.9539E+00  3.0293E+00
OH            2806   15.999000   -0.698000
  1.5459E+01 -5.9660E+00  2.8527E+00
HO            2807    1.008000    0.433000
  1.5047E+01 -6.8524E+00  2.8921E+00
HC            2808    1.008000    0.040000
  1.7383E+01 -6.8215E+00  2.5240E+00
HC            2809    1.008000    0.040000
  1.7164E+01 -6.2468E+00  4.0389E+00
HC            2810    1.008000    0.040000
  1.7396E+01 -5.0325E+00  2.7368E+00
CT            2811   12.011000    0.145000
 -1.1868E+01  6.9957E-01  7.0423E+00
OH            2812   15.999000   -0.698000
 -1.1989E+01 -5.2947E-01  6.4144E+00
HO            2813    1.008000    0.433000
 -1.1309E+01 -1.1458E+00  6.7280E+00
HC            2814    1.008000    0.040000
 -1.1889E+01  6.0312E-01  8.1918E+00
HC            2815    1.008000    0.040000
 -1.2617E+01  1.4814E+00  6.7746E+00
HC            2816    1.008000    0.040000
 -1.0838E+01  1.0319E+00  6.7306E+00
CT            2817   12.011000    0.145000
 -1.2588E+01  3.4971E+00  9.7269E+00
OH            2818   15.999000   -0.698000
 -1.1729E+01  3.7561E+00  1.0772E+01
HO            2819    1.008000    0.433000
 -1.2155E+01  3.5732E+00  1.1608E+01
HC            2820    1.008000    0.040000
 -1.2605E+01  2.4806E+00  9.2979E+00
HC            2821    1.008000    0.040000
 -1.2211E+01  4.0448E+00  8.7988E+00
HC            2822    1.008000    0.040000
 -1.3618E+01  3.7293E+00  9.9339E+00
CT            2823   12.011000    0.145000
 -7.6201E+00  9.7191E+00  9.5569E-01
OH            2824   15.999000   -0.698000
 -7.7179E+00  1.0810E+01  1.8366E+00
HO            2825    1.008000    0.433000
 -7.1643E+00  1.0616E+01  2.5711E+00
HC            2826    1.008000    0.040000
 -7.9072E+00  8.8254E+00  1.4989E+00
HC            2827    1.008000    0.040000
 -6.6512E+00  9.6095E+00  4.3379E-01
HC            2828    1.008000    0.040000
 -8.3960E+00  9.7820E+00  1.9986E-01
CT            2829   12.011000    0.145000
 -7.9603E+00 -1.8310E+00  7.1880E+00
OH            2830   15.999000   -0.698000
 -8.7186E+00 -1.2836E+00  8.2260E+00
HO            2831    1.008000    0.433000
 -9.1410E+00 -2.0738E+00  8.5465E+00
HC            2832    1.008000    0.040000
 -7.6176E+00 -2.9183E+00  7.3102E+00
HC            2833    1.008000    0.040000
 -7.0685E+00 -1.3130E+00  7.1379E+00
HC            2834    1.008000    0.040000
 -8.4817E+00 -1.6555E+00  6.2447E+00
CT            2835   12.011000    0.145000
 -1.6260E+01  1.0793E+01  6.6628E-01
OH            2836   15.999000   -0.698000
 -1.6965E+01  1.1617E+01  1.4969E+00
HO            2837    1.008000    0.433000
 -1.7781E+01  1.1155E+01  1.7386E+00
HC            2838    1.008000    0.040000
 -1.5494E+01  1.1375E+01  3.7429E-02
HC            2839    1.008000    0.040000
 -1.6988E+01  1.0270E+01  1.5676E-02
HC            2840    1.008000    0.040000
 -1.5629E+01  1.0054E+01  1.2473E+00
CT            2841   12.011000    0.145000
 -2.4762E+00 -1.2080E+01 -1.5178E+01
OH            2842   15.999000   -0.698000
 -3.4648E+00 -1.1118E+01 -1.4794E+01
HO            2843    1.008000    0.433000
 -3.1663E+00 -1.0748E+01 -1.3951E+01
HC            2844    1.008000    0.040000
 -1.8205E+00 -1.1475E+01 -1.5765E+01
HC            2845    1.008000    0.040000
 -3.0556E+00 -1.2866E+01 -1.5781E+01
HC            2846    1.008000    0.040000
 -1.9560E+00 -1.2656E+01 -1.4343E+01
CT            2847   12.011000    0.145000
 -5.1643E+00 -1.4179E+01  1.1382E+01
OH            2848   15.999000   -0.698000
 -5.4744E+00 -1.4079E+01  9.9707E+00
HO            2849    1.008000    0.433000
 -5.2192E+00 -1.4921E+01  9.6226E+00
HC            2850    1.008000    0.040000
 -4.1343E+00 -1.4241E+01  1.1714E+01
HC            2851    1.008000    0.040000
 -5.7748E+00 -1.5044E+01  1.1787E+01
HC            2852    1.008000    0.040000
 -5.5452E+00 -1.3308E+01  1.1760E+01
CT            2853   12.011000    0.145000
  1.2559E+00 -5.0451E+00 -8.3527E+00
OH            2854   15.999000   -0.698000
  1.8425E+00 -6.1323E+00 -9.0542E+00
HO            2855    1.008000    0.433000
  2.8018E+00 -5.9684E+00 -8.8986E+00
HC            2856    1.008000    0.040000
  2.0432E-01 -5.2466E+00 -8.4994E+00
HC            2857    1.008000    0.040000
  1.5804E+00 -4.0285E+00 -8.7127E+00
HC            2858    1.008000    0.040000
  1.3134E+00 -5.1047E+00 -7.2336E+00
CT            2859   12.011000    0.145000
  1.3509E+01 -1.0263E+00  8.5259E+00
OH            2860   15.999000   -0.698000
  1.3390E+01 -1.0886E+00  7.1232E+00
HO            2861    1.008000    0.433000
  1.4032E+01 -3.9218E-01  6.8032E+00
HC            2862    1.008000    0.040000
  1.2430E+01 -1.2556E+00  8.8574E+00
HC            2863    1.008000    0.040000
  1.3898E+01 -5.4378E-02  8.7407E+00
HC            2864    1.008000    0.040000
  1.4228E+01 -1.8027E+00  8.8294E+00
CT            2865   12.011000    0.145000
 -1.5152E+01 -4.4892E-01  5.2509E+00
OH            2866   15.999000   -0.698000
 -1.3927E+01 -3.3729E-01  4.5441E+00
HO            2867    1.008000    0.433000
 -1.3207E+01 -4.9241E-01  5.1238E+00
HC            2868    1.008000    0.040000
 -1.5124E+01  3.9265E-01  5.9508E+00
HC            2869    1.008000    0.040000
 -1.5248E+01 -1.4149E+00  5.8104E+00
HC            2870    1.008000    0.040000
 -1.5920E+01 -3.4268E-01  4.4458E+00
CT            2871   12.011000    0.145000
 -1.1388E+01  1.2373E+01 -2.0432E+00
OH            2872   15.999000   -0.698000
 -1.1750E+01  1.1618E+01 -3.2008E+00
HO            2873    1.008000    0.433000
 -1.2683E+01  1.1303E+01 -2.9497E+00
HC            2874    1.008000    0.040000
 -1.0696E+01  1.3221E+01 -2.2562E+00
HC            2875    1.008000    0.040000
 -1.0990E+01  1.1592E+01 -1.3662E+00
HC            2876    1.008000    0.040000
 -1.2242E+01  1.2716E+01 -1.4141E+00
CT            2877   12.011000    0.145000
  1.5376E+01  1.1768E+01  1.3861E+01
OH            2878   15.999000   -0.698000
  1.4686E+01  1.3047E+01  1.3848E+01
HO            2879    1.008000    0.433000
  1.4880E+01  1.3419E+01  1.4684E+01
HC            2880    1.008000    0.040000
  1.6412E+01  1.1855E+01  1.4224E+01
HC            2881    1.008000    0.040000
  1.5498E+01  1.1312E+01  1.2930E+01
HC            2882    1.008000    0.040000
  1.4848E+01  1.1060E+01  1.4489E+01
CT            2883   12.011000    0.145000
  7.3921E+00  1.4426E+01  1.2176E+01
OH            2884   15.999000   -0.698000
  6.9523E+00  1.5566E+01  1.2852E+01
HO            2885    1.008000    0.433000
  7.2612E+00  1.5490E+01  1.3783E+01
HC            2886    1.008000    0.040000
  8.4390E+00  1.4273E+01  1.2405E+01
HC            2887    1.008000    0.040000
  7.3576E+00  1.4503E+01  1.1106E+01
HC            2888    1.008000    0.040000
  6.9512E+00  1.3504E+01  1.2512E+01
CT            2889   12.011000    0.145000
 -9.5025E-01 -8.2898E+00 -3.7755E+00
OH            2890   15.999000   -0.698000
 -8.1498E-01 -7.1578E+00 -2.9349E+00
HO            2891    1.008000    0.433000
  1.2021E-01 -7.1008E+00 -2.6963E+00
HC            2892    1.008000    0.040000
 -9.9883E-01 -9.2419E+00 -3.2567E+00
HC            2893    1.008000    0.040000
 -8.6401E-02 -8.2786E+00 -4.3663E+00
HC            2894    1.008000    0.040000
 -1.7731E+00 -8.2984E+00 -4.4363E+00
CT            2895   12.011000    0.145000
  1.9155E+00  5.7197E+00  1.0899E+01
OH            2896   15.999000   -0.698000
  2.1342E+00  6.4571E+00  1.2091E+01
HO            2897    1.008000    0.433000
  2.5715E+00  5.7765E+00  1.2650E+01
HC            2898    1.008000    0.040000
  1.3897E+00  4.7871E+00  1.0991E+01
HC            2899    1.008000    0.040000
  2.8995E+00  5.5281E+00  1.0441E+01
HC            2900    1.008000    0.040000
  1.4837E+00  6.3629E+00  1.0168E+01
CT            2901   12.011000    0.145000
 -1.2908E+01 -3.8511E-01 -1.6462E+01
OH            2902   15.999000   -0.698000
 -1.1848E+01 -1.1285E+00 -1.5779E+01
HO            2903    1.008000    0.433000
 -1.1246E+01 -1.3805E+00 -1.6460E+01
HC            2904    1.008000    0.040000
 -1.3452E+01  1.5445E-01 -1.5659E+01
HC            2905    1.008000    0.040000
 -1.3591E+01 -1.1751E+00 -1.6822E+01
HC            2906    1.008000    0.040000
 -1.2618E+01  2.2901E-01 -1.7301E+01
CT            2907   12.011000    0.145000
  1.3256E+01  1.2865E+01 -9.2292E+00
OH            2908   15.999000   -0.698000
  1.2733E+01  1.4144E+01 -9.2409E+00
HO            2909    1.008000    0.433000
  1.2790E+01  1.4412E+01 -1.0161E+01
HC            2910    1.008000    0.040000
  1.2425E+01  1.2232E+01 -9.6435E+00
HC            2911    1.008000    0.040000
  1.3431E+01  1.2648E+01 -8.1902E+00
HC            2912    1.008000    0.040000
  1.4126E+01  1.2848E+01 -9.8580E+00
CT            2913   12.011000    0.145000
  5.9242E+00 -7.1852E+00 -1.5756E+01
OH            2914   15.999000   -0.698000
  4.5962E+00 -6.7710E+00 -1.5680E+01
HO            2915    1.008000    0.433000
  4.2603E+00 -6.6666E+00 -1.6581E+01
HC            2916    1.008000    0.040000
  6.2726E+00 -7.6149E+00 -1.6684E+01
HC            2917    1.008000    0.040000
  5.9812E+00 -7.9981E+00 -1.4997E+01
HC            2918    1.008000    0.040000
  6.5989E+00 -6.3478E+00 -1.5381E+01
CT            2919   12.011000    0.145000
 -1.7439E+01  5.1535E+00  1.6041E+01
OH            2920   15.999000   -0.698000
 -1.7273E+01  4.4751E+00  1.7221E+01
HO            2921    1.008000    0.433000
  1.8086E+01  4.2484E+00  1.7488E+01
HC            2922    1.008000    0.040000
 -1.7982E+01  4.4574E+00  1.5321E+01
HC            2923    1.008000    0.040000
 -1.6572E+01  5.4491E+00  1.5464E+01
HC            2924    1.008000    0.040000
 -1.8030E+01  6.0840E+00  1.6120E+01
CT            2925   12.011000    0.145000
 -9.2457E+00 -6.0676E+00  7.6782E+00
OH            2926   15.999000   -0.698000
 -9.9537E+00 -4.9470E+00  7.3391E+00
HO            2927    1.008000    0.433000
 -9.6255E+00 -4.4628E+00  6.5506E+00
HC            2928    1.008000    0.040000
 -8.2351E+00 -5.9007E+00  7.9911E+00
HC            2929    1.008000    0.040000
 -9.1731E+00 -6.7442E+00  6.8114E+00
HC            2930    1.008000    0.040000
 -9.7027E+00 -6.5039E+00  8.5275E+00
CT            2931   12.011000    0.145000
 -1.7877E+01 -3.7338E+00 -1.2484E+01
OH            2932   15.999000   -0.698000
 -1.7210E+01 -3.1117E+00 -1.3627E+01
HO            2933    1.008000    0.433000
 -1.6335E+01 -3.4689E+00 -1.3714E+01
HC            2934    1.008000    0.040000
  1.7369E+01 -3.2135E+00 -1.2381E+01
HC            2935    1.008000    0.040000
 -1.7287E+01 -3.6944E+00 -1.1603E+01
HC            2936    1.008000    0.040000
 -1.8089E+01 -4.7277E+00 -1.2629E+01
CT            2937   12.011000    0.145000
  1.1643E+00 -8.5345E+00  5.0534E-01
OH            2938   15.999000   -0.698000
  1.6803E+00 -8.5975E+00 -8.2894E-01
HO            2939    1.008000    0.433000
  2.1923E+00 -9.4170E+00 -9.6058E-01
HC            2940    1.008000    0.040000
  1.2722E+00 -7.5505E+00  9.2632E-01
HC            2941    1.008000    0.040000
  1.7349E+00 -9.2160E+00  1.1486E+00
HC            2942    1.008000    0.040000
  1.4353E-01 -8.8274E+00  7.4731E-01
CT            2943   12.011000    0.145000
 -8.2191E+00  1.1119E+01 -1.7544E+01
OH            2944   15.999000   -0.698000
 -9.3067E+00  1.1360E+01 -1.6804E+01
HO            2945    1.008000    0.433000
 -9.6448E+00  1.2257E+01 -1.7015E+01
HC            2946    1.008000    0.040000
 -7.6466E+00  1.0218E+01 -1.7195E+01
HC            2947    1.008000    0.040000
 -7.6201E+00  1.1957E+01 -1.7513E+01
HC            2948    1.008000    0.040000
 -8.6909E+00  1.0758E+01  1.7802E+01
CT            2949   12.011000    0.145000
  1.5288E+00 -1.0503E+01  7.5855E+00
OH            2950   15.999000   -0.698000
  5.0461E-01 -1.1338E+01  8.0185E+00
HO            2951    1.008000    0.433000
  7.3712E-01 -1.1821E+01  8.7799E+00
HC            2952    1.008000    0.040000
  1.0578E+00 -1.0004E+01  6.7621E+00
HC            2953    1.008000    0.040000
  2.4229E+00 -1.1090E+01  7.3368E+00
HC            2954    1.008000    0.040000
  1.7276E+00 -9.7822E+00  8.3901E+00
CT            2955   12.011000    0.145000
  9.8364E+00  1.2306E+01 -8.5903E+00
OH            2956   15.999000   -0.698000
  9.0466E+00  1.1660E+01 -9.5829E+00
HO            2957    1.008000    0.433000
  8.1483E+00  1.1956E+01 -9.3524E+00
HC            2958    1.008000    0.040000
  9.3155E+00  1.2275E+01 -7.6431E+00
HC            2959    1.008000    0.040000
  1.0109E+01  1.3302E+01 -8.8621E+00
HC            2960    1.008000    0.040000
  1.0699E+01  1.1732E+01 -8.4459E+00
CT            2961   12.011000    0.145000
 -1.4481E+01  1.1676E+01  1.2757E+01
OH            2962   15.999000   -0.698000
 -1.5539E+01  1.1123E+01  1.1983E+01
HO            2963    1.008000    0.433000
 -1.5495E+01  1.1665E+01  1.1152E+01
HC            2964    1.008000    0.040000
 -1.3633E+01  1.1114E+01  1.2558E+01
HC            2965    1.008000    0.040000
 -1.4747E+01  1.1762E+01  1.3826E+01
HC            2966    1.008000    0.040000
 -1.4238E+01  1.2706E+01  1.2551E+01
CT            2967   12.011000    0.145000
 -1.7226E+01  8.2245E+00  1.1382E+01
OH            2968   15.999000   -0.698000
 -1.7576E+01  9.5916E+00  1.1319E+01
HO            2969    1.008000    0.433000
 -1.6743E+01  1.0093E+01  1.1408E+01
HC            2970    1.008000    0.040000
 -1.6604E+01  8.0600E+00  1.2241E+01
HC            2971    1.008000    0.040000
 -1.6728E+01  7.8798E+00  1.0495E+01
HC            2972    1.008000    0.040000
  1.8102E+01  7.6859E+00  1.1441E+01
CT            2973   12.011000    0.145000
 -6.6114E+00 -1.3506E+01 -4.5811E+00
OH            2974   15.999000   -0.698000
 -6.7234E+00 -1.2109E+01 -4.6686E+00
HO            2975    1.008000    0.433000
 -6.0602E+00 -1.1748E+01 -4.0507E+00
HC            2976    1.008000    0.040000
 -5.9241E+00 -1.3964E+01 -5.2628E+00
HC            2977    1.008000    0.040000
 -7.5225E+00 -1.4139E+01 -4.6482E+00
HC            2978    1.008000    0.040000
 -6.2228E+00 -1.3641E+01 -3.4780E+00
CT            2979   12.011000    0.145000
  4.0459E-01 -1.1720E+01  3.1479E+00
OH            2980   15.999000   -0.698000
  4.7668E-01 -1.0324E+01  3.5226E+00
HO            2981    1.008000    0.433000
 -4.2447E-01 -1.0139E+01  3.5181E+00
HC            2982    1.008000    0.040000
  3.0390E-01 -1.2338E+01  4.0367E+00
HC            2983    1.008000    0.040000
  1.3612E+00 -1.2023E+01  2.7243E+00
HC            2984    1.008000    0.040000
 -3.9525E-01 -1.1940E+01  2.4613E+00
CT            2985   12.011000    0.145000
 -4.3631E-01 -5.3064E+00  7.4039E+00
OH            2986   15.999000   -0.698000
  1.3114E-01 -4.4508E+00  6.4583E+00
HO            2987    1.008000    0.433000
  4.3665E-01 -4.9003E+00  5.7224E+00
HC            2988    1.008000    0.040000
 -7.1150E-01 -4.9420E+00  8.3876E+00
HC            2989    1.008000    0.040000
  1.4403E-01 -6.1783E+00  7.5852E+00
HC            2990    1.008000    0.040000
 -1.3697E+00 -5.7197E+00  6.9965E+00
CT            2991   12.011000    0.145000
  1.2491E+01 -4.7877E+00  9.6965E+00
OH            2992   15.999000   -0.698000
  1.3859E+01 -4.7956E+00  1.0246E+01
HO            2993    1.008000    0.433000
  1.3853E+01 -5.3486E+00  1.1064E+01
HC            2994    1.008000    0.040000
  1.2320E+01 -5.6931E+00  9.0989E+00
HC            2995    1.008000    0.040000
  1.2356E+01 -3.9329E+00  9.0318E+00
HC            2996    1.008000    0.040000
  1.1807E+01 -4.8372E+00  1.0554E+01
CT            2997   12.011000    0.145000
  1.6718E+01 -4.3775E+00 -1.6213E+01
OH            2998   15.999000   -0.698000
  1.6646E+01 -3.2713E+00 -1.5270E+01
HO            2999    1.008000    0.433000
  1.7564E+01 -3.3200E+00 -1.4907E+01
HC            3000    1.008000    0.040000
  1.6793E+01 -5.2859E+00 -1.5711E+01
HC            3001    1.008000    0.040000
  1.7620E+01 -4.2622E+00 -1.6785E+01
HC            3002    1.008000    0.040000
  1.5923E+01 -4.3915E+00 -1.6906E+01
CT            3003   12.011000    0.145000
 -2.3961E+00 -1.1532E+01 -1.1501E+01
OH            3004   15.999000   -0.698000
 -2.9948E+00 -1.0472E+01 -1.2208E+01
HO            3005    1.008000    0.433000
 -3.6949E+00 -1.0074E+01 -1.1658E+01
HC            3006    1.008000    0.040000
 -2.4388E+00 -1.1281E+01 -1.0467E+01
HC            3007    1.008000    0.040000
 -1.3377E+00 -1.1579E+01 -1.1743E+01
HC            3008    1.008000    0.040000
 -2.9725E+00 -1.2324E+01 -1.1763E+01
CT            3009   12.011000    0.145000
  1.4654E+01  7.6084E+00  5.4600E+00
OH            3010   15.999000   -0.698000
  1.4589E+01  7.2899E+00  4.1219E+00
HO            3011    1.008000    0.433000
  1.3741E+01  7.6987E+00  3.8743E+00
HC            3012    1.008000    0.040000
  1.4845E+01  8.6379E+00  5.5004E+00
HC            3013    1.008000    0.040000
  1.5517E+01  7.1447E+00  5.9765E+00
HC            3014    1.008000    0.040000
  1.3774E+01  7.4403E+00  6.0270E+00
CT            3015   12.011000    0.145000
  1.5825E+01  1.4731E+01  1.6236E+01
OH            3016   15.999000   -0.698000
  1.4888E+01  1.3712E+01  1.6559E+01
HO            3017    1.008000    0.433000
  1.5213E+01  1.3523E+01  1.7526E+01
HC            3018    1.008000    0.040000
  1.5887E+01  1.5015E+01  1.5176E+01
HC            3019    1.008000    0.040000
  1.6866E+01  1.4392E+01  1.6507E+01
HC            3020    1.008000    0.040000
  1.5660E+01  1.5658E+01  1.6764E+01
CT            3021   12.011000    0.145000
 -9.0575E+00 -7.6877E+00  1.1765E+01
OH            3022   15.999000   -0.698000
 -7.7262E+00 -8.2641E+00  1.1888E+01
HO            3023    1.008000    0.433000
 -7.3673E+00 -7.9923E+00  1.2776E+01
HC            3024    1.008000    0.040000
 -9.5643E+00 -8.0451E+00  1.2622E+01
HC            3025    1.008000    0.040000
 -9.6532E+00 -8.1353E+00  1.0953E+01
HC            3026    1.008000    0.040000
 -9.0933E+00 -6.5678E+00  1.1779E+01
CT            3027   12.011000    0.145000
  1.6848E+00 -1.1159E+01 -1.5657E+01
OH            3028   15.999000   -0.698000
  8.2148E-01 -1.0535E+01 -1.6571E+01
HO            3029    1.008000    0.433000
  1.2607E+00 -9.7116E+00 -1.6875E+01
HC            3030    1.008000    0.040000
  2.6413E+00 -1.1276E+01 -1.6184E+01
HC            3031    1.008000    0.040000
  1.2975E+00 -1.2137E+01 -1.5323E+01
HC            3032    1.008000    0.040000
  1.8100E+00 -1.0441E+01 -1.4914E+01
CT            3033   12.011000    0.145000
  1.6832E+01  1.1115E+01 -9.6680E+00
OH            3034   15.999000   -0.698000
  1.7874E+01  1.1089E+01 -8.7684E+00
HO            3035    1.008000    0.433000
  1.7610E+01  1.0318E+01 -8.2134E+00
HC            3036    1.008000    0.040000
  1.7076E+01  1.0426E+01 -1.0427E+01
HC            3037    1.008000    0.040000
  1.6694E+01  1.2123E+01 -1.0019E+01
HC            3038    1.008000    0.040000
  1.5943E+01  1.0785E+01 -9.2125E+00
CT            3039   12.011000    0.145000
 -1.0532E+01  2.3715E-01  1.1725E+01
OH            3040   15.999000   -0.698000
 -1.0005E+01 -1.0604E+00  1.1818E+01
HO            3041    1.008000    0.433000
 -1.0222E+01 -1.4111E+00  1.0973E+01
HC            3042    1.008000    0.040000
 -1.0321E+01  6.4570E-01  1.0748E+01
HC            3043    1.008000    0.040000
 -1.0101E+01  9.3665E-01  1.2427E+01
HC            3044    1.008000    0.040000
 -1.1604E+01  2.7175E-01  1.1788E+01
CT            3045   12.011000    0.145000
  9.5071E+00 -9.6182E+00  8.0927E+00
OH            3046   15.999000   -0.698000
  1.0462E+01 -9.0062E+00  8.9985E+00
HO            3047    1.008000    0.433000
  1.0083E+01 -8.2812E+00  9.4860E+00
HC            3048    1.008000    0.040000
  8.6723E+00 -9.9602E+00  8.7314E+00
HC            3049    1.008000    0.040000
  9.8010E+00 -1.0506E+01  7.4565E+00
HC            3050    1.008000    0.040000
  9.0461E+00 -8.8870E+00  7.4423E+00
CT            3051   12.011000    0.145000
 -9.6978E+00 -1.7958E+01 -4.8152E+00
OH            3052   15.999000   -0.698000
 -9.3605E+00 -1.6635E+01 -5.2307E+00
HO            3053    1.008000    0.433000
 -9.5385E+00 -1.6109E+01 -4.3979E+00
HC            3054    1.008000    0.040000
 -1.0798E+01 -1.8023E+01 -4.7639E+00
HC            3055    1.008000    0.040000
 -9.5234E+00 -1.8118E+01 -3.7497E+00
HC            3056    1.008000    0.040000
 -9.1988E+00  1.7508E+01 -5.4294E+00
CT            3057   12.011000    0.145000
  1.2899E+01 -5.3246E+00  1.7788E+01
OH            3058   15.999000   -0.698000
  1.2698E+01 -6.6556E+00  1.7731E+01
HO            3059    1.008000    0.433000
  1.2959E+01 -6.9096E+00  1.6866E+01
HC            3060    1.008000    0.040000
  1.1985E+01 -4.8580E+00  1.7687E+01
HC            3061    1.008000    0.040000
  1.3504E+01 -5.0144E+00  1.6935E+01
HC            3062    1.008000    0.040000
  1.3392E+01 -5.0388E+00 -1.7496E+01
CT            3063   12.011000    0.145000
  9.1093E+00 -1.0637E+01  1.2325E+01
OH            3064   15.999000   -0.698000
  9.6017E+00 -9.9559E+00  1.3409E+01
HO            3065    1.008000    0.433000
  1.0357E+01 -9.5171E+00  1.3096E+01
HC            3066    1.008000    0.040000
  8.9678E+00 -9.9810E+00  1.1475E+01
HC            3067    1.008000    0.040000
  8.1373E+00 -1.1009E+01  1.2600E+01
HC            3068    1.008000    0.040000
  9.7686E+00 -1.1509E+01  1.2001E+01
CT            3069   12.011000    0.145000
 -3.1266E+00 -4.8811E+00 -1.7294E+01
OH            3070   15.999000   -0.698000
 -3.2219E+00 -3.9375E+00  1.7875E+01
HO            3071    1.008000    0.433000
 -3.2380E+00 -3.0210E+00 -1.8105E+01
HC            3072    1.008000    0.040000
 -3.3605E+00 -5.8926E+00 -1.7578E+01
HC            3073    1.008000    0.040000
 -3.8392E+00 -4.6330E+00 -1.6473E+01
HC            3074    1.008000    0.040000
 -2.1559E+00 -4.8543E+00 -1.6756E+01
CT            3075   12.011000    0.145000
  9.4112E+00  1.7755E+01 -8.8282E+00
OH            3076   15.999000   -0.698000
  8.0284E+00  1.7693E+01 -9.2933E+00
HO            3077    1.008000    0.433000
  7.5370E+00 -1.8099E+01 -8.6036E+00
HC            3078    1.008000    0.040000
  9.5470E+00  1.7291E+01 -7.8592E+00
HC            3079    1.008000    0.040000
  9.6948E+00 -1.7409E+01 -8.7089E+00
HC            3080    1.008000    0.040000
  1.0003E+01  1.7248E+01 -9.5418E+00
CT            3081   12.011000    0.145000
 -1.5261E+01  6.2561E+00 -1.0979E+01
OH            3082   15.999000   -0.698000
 -1.5363E+01  5.1652E+00 -1.0177E+01
HO            3083    1.008000    0.433000
 -1.6274E+01  5.1715E+00 -9.7636E+00
HC            3084    1.008000    0.040000
 -1.5325E+01  7.1912E+00 -1.0476E+01
HC            3085    1.008000    0.040000
 -1.6027E+01  6.2840E+00 -1.1783E+01
HC            3086    1.008000    0.040000
 -1.4295E+01  6.3419E+00 -1.1533E+01
CT            3087   12.011000    0.145000
 -1.4619E+01 -1.0995E+01  1.7081E+00
OH            3088   15.999000   -0.698000
 -1.3897E+01 -1.0938E+01  2.8963E+00
HO            3089    1.008000    0.433000
 -1.3814E+01 -1.0054E+01  3.1479E+00
HC            3090    1.008000    0.040000
 -1.3856E+01 -1.0838E+01  8.5945E-01
HC            3091    1.008000    0.040000
 -1.5411E+01 -1.0312E+01  1.6188E+00
HC            3092    1.008000    0.040000
 -1.4894E+01 -1.2089E+01  1.5822E+00
CT            3093   12.011000    0.145000
  4.7666E+00  5.6068E+00  7.5517E+00
OH            3094   15.999000   -0.698000
  4.5488E+00  6.9650E+00  7.9057E+00
HO            3095    1.008000    0.433000
  5.2210E+00  7.4121E+00  7.4456E+00
HC            3096    1.008000    0.040000
  4.7020E+00  5.4538E+00  6.4874E+00
HC            3097    1.008000    0.040000
  3.9339E+00  5.0601E+00  7.9384E+00
HC            3098    1.008000    0.040000
  5.6572E+00  5.2321E+00  8.0036E+00
CT            3099   12.011000    0.145000
 -1.5293E+01  9.8012E+00 -1.7713E+01
OH            3100   15.999000   -0.698000
 -1.4259E+01  1.0581E+01  1.7804E+01
HO            3101    1.008000    0.433000
 -1.3591E+01  9.9402E+00  1.7539E+01
HC            3102    1.008000    0.040000
 -1.4751E+01  9.3496E+00 -1.6910E+01
HC            3103    1.008000    0.040000
 -1.5739E+01  9.0292E+00  1.7851E+01
HC            3104    1.008000    0.040000
 -1.6074E+01  1.0479E+01 -1.7433E+01
CT            3105   12.011000    0.145000
 -2.4245E+00 -1.2909E+01 -4.8747E+00
OH            3106   15.999000   -0.698000
 -1.1483E+00 -1.2523E+01 -5.1796E+00
HO            3107    1.008000    0.433000
 -5.2563E-01 -1.3044E+01 -4.6898E+00
HC            3108    1.008000    0.040000
 -2.8099E+00 -1.2735E+01 -3.8113E+00
HC            3109    1.008000    0.040000
 -2.5039E+00 -1.3936E+01 -5.0850E+00
HC            3110    1.008000    0.040000
 -3.1973E+00 -1.2430E+01 -5.5660E+00
CT            3111   12.011000    0.145000
  1.6078E+01 -9.0995E+00 -3.4434E-01
OH            3112   15.999000   -0.698000
  1.6017E+01 -1.0139E+01  6.1871E-01
HO            3113    1.008000    0.433000
  1.6860E+01 -1.0523E+01  6.6390E-01
HC            3114    1.008000    0.040000
  1.6990E+01 -8.5327E+00 -2.1727E-01
HC            3115    1.008000    0.040000
  1.5203E+01 -8.3611E+00 -3.5661E-01
HC            3116    1.008000    0.040000
  1.6287E+01 -9.6439E+00 -1.2466E+00
CT            3117   12.011000    0.145000
 -4.4772E+00 -8.1546E+00  1.7314E+01
OH            3118   15.999000   -0.698000
 -5.0046E+00 -8.3724E+00  1.6048E+01
HO            3119    1.008000    0.433000
 -5.0053E+00 -9.3148E+00  1.5978E+01
HC            3120    1.008000    0.040000
 -4.9714E+00 -7.2646E+00  1.7660E+01
HC            3121    1.008000    0.040000
 -3.3695E+00 -8.0446E+00  1.7161E+01
HC            3122    1.008000    0.040000
 -4.7134E+00 -9.0310E+00  1.7952E+01
CT            3123   12.011000    0.145000
  3.7087E+00  1.7046E+01  9.5653E+00
OH            3124   15.999000   -0.698000
  3.9336E+00  1.6741E+01  1.0921E+01
HO            3125    1.008000    0.433000
  4.7971E+00  1.7146E+01  1.1181E+01
HC            3126    1.008000    0.040000
  3.4741E+00  1.8063E+01  9.5578E+00
HC            3127    1.008000    0.040000
  2.8272E+00  1.6487E+01  9.1623E+00
HC            3128    1.008000    0.040000
  4.5763E+00  1.6966E+01  8.9673E+00
CT            3129   12.011000    0.145000
 -3.2146E+00  1.3576E+01 -1.3335E+01
OH            3130   15.999000   -0.698000
 -3.5303E+00  1.4902E+01 -1.3264E+01
HO            3131    1.008000    0.433000
 -2.9829E+00  1.5247E+01 -1.2567E+01
HC            3132    1.008000    0.040000
 -2.1145E+00  1.3590E+01 -1.3406E+01
HC            3133    1.008000    0.040000
 -3.7389E+00  1.3077E+01 -1.4159E+01
HC            3134    1.008000    0.040000
 -3.5279E+00  1.3085E+01 -1.2459E+01
CT            3135   12.011000    0.145000
  1.7783E+01 -1.1896E+01 -3.7045E+00
OH            3136   15.999000   -0.698000
 -1.7131E+01 -1.1570E+01 -3.5226E+00
HO            3137    1.008000    0.433000
 -1.7045E+01 -1.0858E+01 -4.0876E+00
HC            3138    1.008000    0.040000
  1.7545E+01 -1.2921E+01 -3.3969E+00
HC            3139    1.008000    0.040000
  1.7596E+01 -1.1966E+01 -4.7659E+00
HC            3140    1.008000    0.040000
  1.7107E+01 -1.1187E+01 -3.2621E+00
CT            3141   12.011000    0.145000
 -1.7572E-01  7.8888E+00  1.6614E+01
OH            3142   15.999000   -0.698000
 -8.2172E-01  6.7580E+00  1.6191E+01
HO            3143    1.008000    0.433000
 -3.7237E-01  6.4598E+00  1.5431E+01
HC            3144    1.008000    0.040000
 -6.1799E-01  8.3918E+00  1.7504E+01
HC            3145    1.008000    0.040000
 -1.9795E-01  8.6268E+00  1.5860E+01
HC            3146    1.008000    0.040000
  8.5106E-01  7.7848E+00  1.6836E+01
CT            3147   12.011000    0.145000
 -1.1257E+01  2.2645E+00  1.8428E+00
OH            3148   15.999000   -0.698000
 -9.8642E+00  2.5447E+00  2.0401E+00
HO            3149    1.008000    0.433000
 -9.6863E+00  3.2674E+00  1.4326E+00
HC            3150    1.008000    0.040000
 -1.1485E+01  1.7944E+00  8.0936E-01
HC            3151    1.008000    0.040000
 -1.1766E+01  3.2106E+00  1.9186E+00
HC            3152    1.008000    0.040000
 -1.1548E+01  1.6863E+00  2.6830E+00
CT            3153   12.011000    0.145000
  9.9448E+00 -7.4003E-01 -1.3595E+01
OH            3154   15.999000   -0.698000
  1.0094E+01 -2.0962E+00 -1.3437E+01
HO            3155    1.008000    0.433000
  9.3074E+00 -2.5725E+00 -1.3818E+01
HC            3156    1.008000    0.040000
  1.0721E+01 -3.0034E-01 -1.4205E+01
HC            3157    1.008000    0.040000
  9.8936E+00 -2.1185E-01 -1.2675E+01
HC            3158    1.008000    0.040000
  8.9425E+00 -6.8566E-01 -1.4005E+01
CT            3159   12.011000    0.145000
 -1.7534E+01 -4.7590E+00 -2.9045E+00
OH            3160   15.999000   -0.698000
 -1.6202E+01 -4.8845E+00 -2.4418E+00
HO            3161    1.008000    0.433000
 -1.5833E+01 -5.4613E+00 -3.0821E+00
HC            3162    1.008000    0.040000
 -1.7623E+01 -3.8312E+00 -3.4060E+00
HC            3163    1.008000    0.040000
  1.8063E+01 -4.5679E+00 -2.0413E+00
HC            3164    1.008000    0.040000
 -1.7968E+01 -5.5965E+00 -3.3207E+00
CT            3165   12.011000    0.145000
 -1.0076E+01  1.6959E+01 -9.3621E+00
OH            3166   15.999000   -0.698000
 -1.0205E+01  1.5681E+01 -9.9300E+00
HO            3167    1.008000    0.433000
 -9.3382E+00  1.5269E+01 -9.6966E+00
HC            3168    1.008000    0.040000
 -9.1826E+00  1.7425E+01 -9.8131E+00
HC            3169    1.008000    0.040000
 -1.0068E+01  1.6977E+01 -8.2741E+00
HC            3170    1.008000    0.040000
 -1.0852E+01  1.7740E+01 -9.6130E+00
CT            3171   12.011000    0.145000
  1.5675E+01  1.7389E+00 -2.6432E+00
OH            3172   15.999000   -0.698000
  1.4612E+01  2.2227E+00 -3.4775E+00
HO            3173    1.008000    0.433000
  1.4671E+01  3.1592E+00 -3.3662E+00
HC            3174    1.008000    0.040000
  1.6605E+01  1.7052E+00 -3.1894E+00
HC            3175    1.008000    0.040000
  1.5376E+01  7.5813E-01 -2.4550E+00
HC            3176    1.008000    0.040000
  1.5848E+01  2.1908E+00 -1.6112E+00
CT            3177   12.011000    0.145000
 -4.7037E+00 -6.8387E+00  1.1332E+01
OH            3178   15.999000   -0.698000
 -4.2681E+00 -7.7479E+00  1.2273E+01
HO            3179    1.008000    0.433000
 -4.8393E+00 -7.5566E+00  1.3024E+01
HC            3180    1.008000    0.040000
 -5.5567E+00 -7.2509E+00  1.0758E+01
HC            3181    1.008000    0.040000
 -3.9506E+00 -6.8012E+00  1.0641E+01
HC            3182    1.008000    0.040000
 -4.9613E+00 -5.8578E+00  1.1702E+01
CT            3183   12.011000    0.145000
 -4.5393E+00 -7.3628E+00 -1.1244E+01
OH            3184   15.999000   -0.698000
 -4.2650E+00 -8.4867E+00 -1.0430E+01
HO            3185    1.008000    0.433000
 -4.7813E+00 -8.5034E+00 -9.5840E+00
HC            3186    1.008000    0.040000
 -4.1758E+00 -6.4861E+00 -1.0735E+01
HC            3187    1.008000    0.040000
 -5.5586E+00 -7.1764E+00 -1.1484E+01
HC            3188    1.008000    0.040000
 -4.0067E+00 -7.4577E+00 -1.2148E+01
CT            3189   12.011000    0.145000
 -3.9000E+00  6.4821E+00  1.3572E+01
OH            3190   15.999000   -0.698000
 -4.5931E+00  7.4157E+00  1.2769E+01
HO            3191    1.008000    0.433000
 -4.1984E+00  8.2693E+00  1.2837E+01
HC            3192    1.008000    0.040000
 -4.2706E+00  5.4903E+00  1.3303E+01
HC            3193    1.008000    0.040000
 -4.1277E+00  6.7302E+00  1.4596E+01
HC            3194    1.008000    0.040000
 -2.7832E+00  6.6198E+00  1.3570E+01
CT            3195   12.011000    0.145000
 -1.1983E+01  2.8841E+00 -6.2226E+00
OH            3196   15.999000   -0.698000
 -1.1887E+01  3.9867E+00 -7.1482E+00
HO            3197    1.008000    0.433000
 -1.2353E+01  3.7996E+00 -7.9217E+00
HC            3198    1.008000    0.040000
 -1.1104E+01  3.0281E+00 -5.6922E+00
HC            3199    1.008000    0.040000
 -1.1897E+01  1.8722E+00 -6.7721E+00
HC            3200    1.008000    0.040000
 -1.2774E+01  2.8776E+00 -5.5320E+00
CT            3201   12.011000    0.145000
 -5.1176E+00 -2.6087E+00 -1.6232E+00
OH            3202   15.999000   -0.698000
 -5.5049E+00 -1.2878E+00 -1.3011E+00
HO            3203    1.008000    0.433000
 -5.4746E+00 -1.1675E+00 -4.0312E-01
HC            3204    1.008000    0.040000
 -5.6280E+00 -3.2503E+00 -9.1206E-01
HC            3205    1.008000    0.040000
 -4.0313E+00 -2.6255E+00 -1.5773E+00
HC            3206    1.008000    0.040000
 -5.4961E+00 -2.8303E+00 -2.6565E+00
CT            3207   12.011000    0.145000
 -1.1193E+00 -1.5390E+01 -8.7289E+00
OH            3208   15.999000   -0.698000
 -6.2341E-01 -1.6694E+01 -9.1333E+00
HO            3209    1.008000    0.433000
 -8.3224E-01 -1.6868E+01 -1.0011E+01
HC            3210    1.008000    0.040000
 -2.5749E-01 -1.4770E+01 -8.8816E+00
HC            3211    1.008000    0.040000
 -1.3094E+00 -1.5358E+01 -7.6355E+00
HC            3212    1.008000    0.040000
 -2.0229E+00 -1.5025E+01 -9.2594E+00
CT            3213   12.011000    0.145000
 -5.6149E+00 -1.7815E+01  5.5609E+00
OH            3214   15.999000   -0.698000
 -5.5816E+00  1.7486E+01  6.6988E+00
HO            3215    1.008000    0.433000
 -4.6902E+00  1.7160E+01  6.8186E+00
HC            3216    1.008000    0.040000
 -4.8816E+00 -1.7027E+01  5.6962E+00
HC            3217    1.008000    0.040000
 -6.5469E+00 -1.7283E+01  5.3861E+00
HC            3218    1.008000    0.040000
 -5.5234E+00  1.7917E+01  4.5314E+00
CT            3219   12.011000    0.145000
  9.9872E-01 -5.7533E+00 -1.5914E+01
OH            3220   15.999000   -0.698000
 -1.0550E-01 -5.4067E+00 -1.5073E+01
HO            3221    1.008000    0.433000
 -8.6916E-01 -5.9936E+00 -1.5247E+01
HC            3222    1.008000    0.040000
  6.3900E-01 -5.7980E+00 -1.6968E+01
HC            3223    1.008000    0.040000
  1.2909E+00 -6.7600E+00 -1.5500E+01
HC            3224    1.008000    0.040000
  1.7028E+00 -5.0050E+00 -1.5739E+01
CT            3225   12.011000    0.145000
  1.2151E+01 -1.4790E+01 -8.8709E+00
OH            3226   15.999000   -0.698000
  1.1771E+01 -1.3483E+01 -9.2488E+00
HO            3227    1.008000    0.433000
  1.0902E+01 -1.3314E+01 -8.9603E+00
HC            3228    1.008000    0.040000
  1.2181E+01 -1.4758E+01 -7.7707E+00
HC            3229    1.008000    0.040000
  1.3240E+01 -1.5033E+01 -9.2766E+00
HC            3230    1.008000    0.040000
  1.1462E+01 -1.5607E+01 -9.0877E+00
CT            3231   12.011000    0.145000
  3.6395E+00  1.0262E+01  1.7149E+01
OH            3232   15.999000   -0.698000
  2.8125E+00  1.1345E+01  1.6816E+01
HO            3233    1.008000    0.433000
  3.2192E+00  1.2159E+01  1.7228E+01
HC            3234    1.008000    0.040000
  3.7294E+00  9.9894E+00 -1.8039E+01
HC            3235    1.008000    0.040000
  4.6305E+00  1.0601E+01  1.6908E+01
HC            3236    1.008000    0.040000
  3.5273E+00  9.3674E+00  1.6581E+01
CT            3237   12.011000    0.145000
  6.1673E-01  1.4246E+01 -6.0027E+00
OH            3238   15.999000   -0.698000
  1.5162E+00  1.5382E+01 -6.2805E+00
HO            3239    1.008000    0.433000
  9.6988E-01  1.6184E+01 -6.2712E+00
HC            3240    1.008000    0.040000
  9.2701E-01  1.3365E+01 -6.5929E+00
HC            3241    1.008000    0.040000
 -4.6668E-01  1.4407E+01 -6.2905E+00
HC            3242    1.008000    0.040000
  6.5747E-01  1.4020E+01 -4.9362E+00
CT            3243   12.011000    0.145000
 -1.7553E+01 -1.7322E+01 -1.3526E+01
OH            3244   15.999000   -0.698000
 -1.6273E+01 -1.7200E+01 -1.4031E+01
HO            3245    1.008000    0.433000
 -1.5778E+01 -1.6599E+01 -1.3418E+01
HC            3246    1.008000    0.040000
 -1.7380E+01 -1.7517E+01 -1.2474E+01
HC            3247    1.008000    0.040000
 -1.8069E+01 -1.8073E+01 -1.4066E+01
HC            3248    1.008000    0.040000
 -1.8005E+01 -1.6296E+01 -1.3616E+01
CT            3249   12.011000    0.145000
 -4.4587E+00 -1.5487E+01 -1.2378E+01
OH            3250   15.999000   -0.698000
 -4.2364E+00 -1.6099E+01 -1.1105E+01
HO            3251    1.008000    0.433000
 -5.0059E+00 -1.6431E+01 -1.0741E+01
HC            3252    1.008000    0.040000
 -5.5095E+00 -1.5334E+01 -1.2752E+01
HC            3253    1.008000    0.040000
 -3.8687E+00 -1.5998E+01 -1.3122E+01
HC            3254    1.008000    0.040000
 -4.0197E+00 -1.4472E+01 -1.2439E+01
CT            3255   12.011000    0.145000
 -1.7075E+01  1.0023E+01  1.5383E+01
OH            3256   15.999000   -0.698000
 -1.6806E+01  1.1122E+01  1.6125E+01
HO            3257    1.008000    0.433000
 -1.5904E+01  1.0977E+01  1.6356E+01
HC            3258    1.008000    0.040000
 -1.7241E+01  9.1376E+00  1.5906E+01
HC            3259    1.008000    0.040000
 -1.6276E+01  9.8942E+00  1.4618E+01
HC            3260    1.008000    0.040000
 -1.8009E+01  1.0202E+01  1.4933E+01
CT            3261   12.011000    0.145000
 -1.1054E+01 -1.4817E+01 -2.9470E+00
OH            3262   15.999000   -0.698000
 -9.8404E+00 -1.4477E+01 -3.4752E+00
HO            3263    1.008000    0.433000
 -9.6877E+00 -1.3557E+01 -3.2107E+00
HC            3264    1.008000    0.040000
 -1.1772E+01 -1.4007E+01 -3.0632E+00
HC            3265    1.008000    0.040000
 -1.0959E+01 -1.5035E+01 -1.8261E+00
HC            3266    1.008000    0.040000
 -1.1448E+01 -1.5705E+01 -3.4031E+00
CT            3267   12.011000    0.145000
 -1.5600E+01  7.5173E+00 -8.3853E-01
OH            3268   15.999000   -0.698000
 -1.4713E+01  8.2817E+00 -1.6215E+00
HO            3269    1.008000    0.433000
 -1.4066E+01  7.6816E+00 -1.9683E+00
HC            3270    1.008000    0.040000
 -1.5816E+01  6.6119E+00 -1.4533E+00
HC            3271    1.008000    0.040000
 -1.6545E+01  8.0324E+00 -7.1832E-01
HC            3272    1.008000    0.040000
 -1.5278E+01  7.2396E+00  1.2871E-01
CT            3273   12.011000    0.145000
  5.6381E+00 -1.4908E+01  1.1359E+01
OH            3274   15.999000   -0.698000
  6.2371E+00 -1.3715E+01  1.1822E+01
HO            3275    1.008000    0.433000
  6.6065E+00 -1.3961E+01  1.2658E+01
HC            3276    1.008000    0.040000
  4.8697E+00 -1.4802E+01  1.0550E+01
HC            3277    1.008000    0.040000
  5.0981E+00 -1.5371E+01  1.2153E+01
HC            3278    1.008000    0.040000
  6.4411E+00 -1.5549E+01  1.0918E+01
CT            3279   12.011000    0.145000
  9.8180E+00 -6.4070E+00 -1.5773E+01
OH            3280   15.999000   -0.698000
  9.9478E+00 -7.7459E+00 -1.6282E+01
HO            3281    1.008000    0.433000
  9.3939E+00 -8.2792E+00 -1.5782E+01
HC            3282    1.008000    0.040000
  1.0368E+01 -5.7121E+00 -1.6467E+01
HC            3283    1.008000    0.040000
  1.0318E+01 -6.2949E+00 -1.4844E+01
HC            3284    1.008000    0.040000
  8.7966E+00 -6.1125E+00 -1.5667E+01
CT            3285   12.011000    0.145000
  1.1809E+01  2.6286E+00  1.6061E+01
OH            3286   15.999000   -0.698000
  1.2365E+01  2.2087E+00  1.7297E+01
HO            3287    1.008000    0.433000
  1.3366E+01  2.3204E+00  1.7174E+01
HC            3288    1.008000    0.040000
  1.2248E+01  2.1383E+00  1.5255E+01
HC            3289    1.008000    0.040000
  1.1838E+01  3.6259E+00  1.5781E+01
HC            3290    1.008000    0.040000
  1.0743E+01  2.3403E+00  1.6012E+01
CT            3291   12.011000    0.145000
  1.4769E+01 -1.5571E+01  6.1878E+00
OH            3292   15.999000   -0.698000
  1.4891E+01 -1.5731E+01  4.7584E+00
HO            3293    1.008000    0.433000
  1.4009E+01 -1.5873E+01  4.3710E+00
HC            3294    1.008000    0.040000
  1.5654E+01 -1.5281E+01  6.6828E+00
HC            3295    1.008000    0.040000
  1.4381E+01 -1.6523E+01  6.6726E+00
HC            3296    1.008000    0.040000
  1.4073E+01 -1.4757E+01  6.4601E+00
CT            3297   12.011000    0.145000
  4.8145E+00 -1.4621E+01 -1.8073E+01
OH            3298   15.999000   -0.698000
  3.9483E+00 -1.3652E+01 -1.7721E+01
HO            3299    1.008000    0.433000
  3.1194E+00 -1.3989E+01 -1.8040E+01
HC            3300    1.008000    0.040000
  4.7229E+00 -1.4841E+01  1.7150E+01
HC            3301    1.008000    0.040000
  4.8255E+00 -1.5527E+01 -1.7487E+01
HC            3302    1.008000    0.040000
  5.8046E+00 -1.4273E+01 -1.8011E+01
CT            3303   12.011000    0.145000
  8.7207E+00  7.4863E+00 -4.3788E+00
OH            3304   15.999000   -0.698000
  8.4475E+00  6.3454E+00 -3.5919E+00
HO            3305    1.008000    0.433000
  9.1603E+00  6.2889E+00 -2.9743E+00
HC            3306    1.008000    0.040000
  7.8204E+00  7.6768E+00 -5.0260E+00
HC            3307    1.008000    0.040000
  9.5561E+00  7.5184E+00 -5.0498E+00
HC            3308    1.008000    0.040000
  8.9451E+00  8.3582E+00 -3.6843E+00
CT            3309   12.011000    0.145000
 -1.3058E+01 -1.5548E+01  2.8609E+00
OH            3310   15.999000   -0.698000
 -1.2766E+01 -1.6743E+01  2.3102E+00
HO            3311    1.008000    0.433000
 -1.2975E+01 -1.7452E+01  2.9547E+00
HC            3312    1.008000    0.040000
 -1.2522E+01 -1.4641E+01  2.4348E+00
HC            3313    1.008000    0.040000
 -1.2848E+01 -1.5612E+01  3.8973E+00
HC            3314    1.008000    0.040000
 -1.4127E+01 -1.5365E+01  2.7965E+00
CT            3315   12.011000    0.145000
 -1.2150E+01 -9.8156E+00  6.5150E+00
OH            3316   15.999000   -0.698000
 -1.1614E+01 -9.8910E+00  5.2112E+00
HO            3317    1.008000    0.433000
 -1.0899E+01 -1.0570E+01  5.1509E+00
HC            3318    1.008000    0.040000
 -1.1427E+01 -9.1597E+00  7.0654E+00
HC            3319    1.008000    0.040000
 -1.2121E+01 -1.0816E+01  6.9601E+00
HC            3320    1.008000    0.040000
 -1.3201E+01 -9.3603E+00  6.5335E+00
CT            3321   12.011000    0.145000
  9.9129E-01 -1.7791E+01  6.8399E+00
OH            3322   15.999000   -0.698000
 -1.2452E-01 -1.7819E+01  7.7121E+00
HO            3323    1.008000    0.433000
 -2.1305E-01 -1.6883E+01  7.9620E+00
HC            3324    1.008000    0.040000
  1.8996E+00  1.7973E+01  7.2352E+00
HC            3325    1.008000    0.040000
  1.2308E+00 -1.6794E+01  6.5076E+00
HC            3326    1.008000    0.040000
  8.1325E-01  1.7832E+01  5.9541E+00
CT            3327   12.011000    0.145000
 -2.7409E+00 -1.7367E+01  1.8932E+00
OH            3328   15.999000   -0.698000
 -2.8237E+00 -1.6115E+01  2.4956E+00
HO            3329    1.008000    0.433000
 -2.7286E+00 -1.6243E+01  3.4481E+00
HC            3330    1.008000    0.040000
 -3.3387E+00 -1.8028E+01  2.4703E+00
HC            3331    1.008000    0.040000
 -1.8062E+00 -1.7884E+01  1.8542E+00
HC            3332    1.008000    0.040000
 -3.1199E+00 -1.7247E+01  8.9881E-01
CT            3333   12.011000    0.145000
 -5.1578E+00  1.7373E+00 -2.8588E+00
OH            3334   15.999000   -0.698000
 -4.6680E+00  5.5732E-01 -3.3902E+00
HO            3335    1.008000    0.433000
 -4.5021E+00 -2.8119E-05 -2.6612E+00
HC            3336    1.008000    0.040000
 -6.0327E+00  1.9887E+00 -3.3194E+00
HC            3337    1.008000    0.040000
 -4.3927E+00  2.5512E+00 -2.9135E+00
HC            3338    1.008000    0.040000
 -5.5412E+00  1.5029E+00 -1.8033E+00
CT            3339   12.011000    0.145000
  1.3609E+01  2.5118E+00  1.1668E+01
OH            3340   15.999000   -0.698000
  1.3790E+01  1.8274E+00  1.0479E+01
HO            3341    1.008000    0.433000
  1.4613E+01  1.3198E+00  1.0695E+01
HC            3342    1.008000    0.040000
  1.2581E+01  2.8599E+00  1.1851E+01
HC            3343    1.008000    0.040000
  1.4320E+01  3.3095E+00  1.1706E+01
HC            3344    1.008000    0.040000
  1.3841E+01  1.9344E+00  1.2531E+01
CT            3345   12.011000    0.145000
  7.9654E+00 -1.5635E+01 -1.4665E+01
OH            3346   15.999000   -0.698000
  7.2636E+00 -1.6817E+01 -1.4650E+01
HO            3347    1.008000    0.433000
  7.4198E+00 -1.7179E+01 -1.3771E+01
HC            3348    1.008000    0.040000
  7.7400E+00 -1.5042E+01 -1.5588E+01
HC            3349    1.008000    0.040000
  8.9987E+00 -1.5988E+01 -1.4534E+01
HC            3350    1.008000    0.040000
  7.5754E+00 -1.5148E+01 -1.3745E+01
CT            3351   12.011000    0.145000
  7.6782E+00 -6.4619E+00  1.6934E+01
OH            3352   15.999000   -0.698000
  6.6267E+00 -6.6728E+00  1.5920E+01
HO            3353    1.008000    0.433000
  6.8131E+00 -7.4174E+00  1.5398E+01
HC            3354    1.008000    0.040000
  7.3642E+00 -5.6763E+00  1.7586E+01
HC            3355    1.008000    0.040000
  8.6832E+00 -6.1451E+00  1.6575E+01
HC            3356    1.008000    0.040000
  7.8077E+00 -7.3639E+00  1.7550E+01
CT            3357   12.011000    0.145000
  4.8816E+00  1.7301E+01  2.6415E+00
OH            3358   15.999000   -0.698000
  6.0934E+00  1.6937E+01  3.3353E+00
HO            3359    1.008000    0.433000
  6.4055E+00  1.6085E+01  3.0622E+00
HC            3360    1.008000    0.040000
  4.6092E+00  1.6434E+01  1.9956E+00
HC            3361    1.008000    0.040000
  5.1687E+00 -1.8089E+01  2.0033E+00
HC            3362    1.008000    0.040000
  4.1055E+00  1.7533E+01  3.3852E+00
CT            3363   12.011000    0.145000
  1.0546E+01  1.6810E+01  3.3296E+00
OH            3364   15.999000   -0.698000
  9.1499E+00  1.6541E+01  3.4400E+00
HO            3365    1.008000    0.433000
  8.9187E+00  1.6879E+01  4.2780E+00
HC            3366    1.008000    0.040000
  1.0837E+01  1.7684E+01  3.9100E+00
HC            3367    1.008000    0.040000
  1.0847E+01  1.6896E+01  2.2182E+00
HC            3368    1.008000    0.040000
  1.1125E+01  1.5968E+01  3.6499E+00
CT            3369   12.011000    0.145000
  1.7302E+01  6.7672E+00 -1.4738E+01
OH            3370   15.999000   -0.698000
  1.8074E+01  6.1147E+00 -1.3735E+01
HO            3371    1.008000    0.433000
  1.7790E+01  6.4448E+00 -1.2847E+01
HC            3372    1.008000    0.040000
  1.6387E+01  7.0808E+00 -1.4253E+01
HC            3373    1.008000    0.040000
  1.7012E+01  6.1148E+00 -1.5570E+01
HC            3374    1.008000    0.040000
  1.7729E+01  7.5995E+00 -1.5290E+01
CT            3375   12.011000    0.145000
 -5.7572E+00 -1.4284E+01  2.0509E+00
OH            3376   15.999000   -0.698000
 -5.2377E+00 -1.3295E+01  2.9126E+00
HO            3377    1.008000    0.433000
 -4.9710E+00 -1.2591E+01  2.2787E+00
HC            3378    1.008000    0.040000
 -6.7439E+00 -1.3868E+01  1.7055E+00
HC            3379    1.008000    0.040000
 -5.8519E+00 -1.5183E+01  2.6341E+00
HC            3380    1.008000    0.040000
 -5.0953E+00 -1.4486E+01  1.1796E+00
CT            3381   12.011000    0.145000
  1.0420E+01 -9.9958E-01  1.7887E+01
OH            3382   15.999000   -0.698000
  9.2471E+00 -7.2121E-01 -1.7689E+01
HO            3383    1.008000    0.433000
  8.5784E+00 -4.0758E-01  1.7934E+01
HC            3384    1.008000    0.040000
  1.0636E+01 -1.2290E-01  1.7189E+01
HC            3385    1.008000    0.040000
  1.0339E+01 -1.9636E+00  1.7387E+01
HC            3386    1.008000    0.040000
  1.1237E+01 -1.0056E+00 -1.7630E+01
CT            3387   12.011000    0.145000
  2.6061E+00 -1.3190E+01  1.0357E+01
OH            3388   15.999000   -0.698000
  1.2953E+00 -1.3523E+01  9.9996E+00
HO            3389    1.008000    0.433000
  8.6884E-01 -1.3864E+01  1.0797E+01
HC            3390    1.008000    0.040000
  3.4297E+00 -1.3407E+01  9.6478E+00
HC            3391    1.008000    0.040000
  2.9257E+00 -1.3482E+01  1.1369E+01
HC            3392    1.008000    0.040000
  2.6695E+00 -1.2098E+01  1.0372E+01
CT            3393   12.011000    0.145000
  9.7060E+00 -2.0174E+00  1.3825E+01
OH            3394   15.999000   -0.698000
  1.0977E+01 -2.3795E+00  1.3312E+01
HO            3395    1.008000    0.433000
  1.1048E+01 -1.9919E+00  1.2385E+01
HC            3396    1.008000    0.040000
  8.9125E+00 -2.2976E+00  1.3133E+01
HC            3397    1.008000    0.040000
  9.7419E+00 -9.1251E-01  1.4108E+01
HC            3398    1.008000    0.040000
  9.5247E+00 -2.4632E+00  1.4753E+01
CT            3399   12.011000    0.145000
  1.3093E+01  1.7650E+01  1.5364E+01
OH            3400   15.999000   -0.698000
  1.3280E+01  1.7608E+01  1.6718E+01
HO            3401    1.008000    0.433000
  1.3915E+01 -1.8003E+01  1.7013E+01
HC            3402    1.008000    0.040000
  1.3892E+01  1.7190E+01  1.4779E+01
HC            3403    1.008000    0.040000
  1.2966E+01 -1.7614E+01  1.5013E+01
HC            3404    1.008000    0.040000
  1.2255E+01  1.6967E+01  1.5097E+01
CT            3405   12.011000    0.145000
  5.6326E+00 -1.2016E+01 -1.4735E+01
OH            3406   15.999000   -0.698000
  6.3298E+00 -1.1944E+01 -1.3433E+01
HO            3407    1.008000    0.433000
  6.0945E+00 -1.1070E+01 -1.3013E+01
HC            3408    1.008000    0.040000
  4.7674E+00 -1.2732E+01 -1.4552E+01
HC            3409    1.008000    0.040000
  6.2874E+00 -1.2338E+01 -1.5519E+01
HC            3410    1.008000    0.040000
  5.2691E+00 -1.0982E+01 -1.4961E+01
CT            3411   12.011000    0.145000
  1.7722E+01  1.2813E+01  1.0305E+01
OH            3412   15.999000   -0.698000
  1.6743E+01  1.3837E+01  1.0140E+01
HO            3413    1.008000    0.433000
  1.6919E+01  1.4332E+01  9.3481E+00
HC            3414    1.008000    0.040000
  1.7415E+01  1.2071E+01  1.1028E+01
HC            3415    1.008000    0.040000
 -1.7582E+01  1.3213E+01  1.0661E+01
HC            3416    1.008000    0.040000
  1.7884E+01  1.2366E+01  9.3276E+00
CT            3417   12.011000    0.145000
 -1.6971E+01 -1.5204E+01 -1.7373E+01
OH            3418   15.999000   -0.698000
 -1.6577E+01 -1.5738E+01  1.7620E+01
HO            3419    1.008000    0.433000
 -1.7134E+01 -1.6514E+01  1.7450E+01
HC            3420    1.008000    0.040000
 -1.7948E+01 -1.4789E+01 -1.7409E+01
HC            3421    1.008000    0.040000
 -1.6312E+01 -1.4404E+01 -1.6938E+01
HC            3422    1.008000    0.040000
 -1.7144E+01 -1.6075E+01 -1.6693E+01
CT            3423   12.011000    0.145000
  1.5421E+01 -4.0520E+00  7.3956E+00
OH            3424   15.999000   -0.698000
  1.5884E+01 -3.7191E+00  8.7045E+00
HO            3425    1.008000    0.433000
  1.5234E+01 -4.1883E+00  9.2853E+00
HC            3426    1.008000    0.040000
  1.5463E+01 -5.1344E+00  7.1931E+00
HC            3427    1.008000    0.040000
  1.5993E+01 -3.5544E+00  6.6270E+00
HC            3428    1.008000    0.040000
  1.4400E+01 -3.8026E+00  7.1593E+00
CT            3429   12.011000    0.145000
 -1.0824E+01  1.5377E+01  6.6169E+00
OH            3430   15.999000   -0.698000
 -1.0481E+01  1.5849E+01  5.3576E+00
HO            3431    1.008000    0.433000
 -9.5615E+00  1.5611E+01  5.2873E+00
HC            3432    1.008000    0.040000
 -1.0280E+01  1.4417E+01  6.7651E+00
HC            3433    1.008000    0.040000
 -1.1932E+01  1.5235E+01  6.6458E+00
HC            3434    1.008000    0.040000
 -1.0487E+01  1.6079E+01  7.3993E+00
CT            3435   12.011000    0.145000
  6.7924E-01 -1.5008E+01 -2.5644E+00
OH            3436   15.999000   -0.698000
 -1.9497E-01 -1.4751E+01 -3.7086E+00
HO            3437    1.008000    0.433000
 -6.7915E-01 -1.5541E+01 -3.9010E+00
HC            3438    1.008000    0.040000
  1.7716E+00 -1.4931E+01 -2.6997E+00
HC            3439    1.008000    0.040000
  6.4712E-01 -1.6030E+01 -2.2220E+00
HC            3440    1.008000    0.040000
  3.4402E-01 -1.4461E+01 -1.6476E+00
CT            3441   12.011000    0.145000
  5.2132E+00  1.8143E+00  1.0266E+01
OH            3442   15.999000   -0.698000
  3.9455E+00  1.2196E+00  1.0692E+01
HO            3443    1.008000    0.433000
  4.1722E+00  3.4192E-01  1.1119E+01
HC            3444    1.008000    0.040000
  5.9172E+00  1.1641E+00  9.7007E+00
HC            3445    1.008000    0.040000
  5.7725E+00  2.1734E+00  1.1157E+01
HC            3446    1.008000    0.040000
  5.0555E+00  2.6808E+00  9.5493E+00
CT            3447   12.011000    0.145000
  1.1269E+01 -1.5472E+01  2.3857E+00
OH            3448   15.999000   -0.698000
  1.1884E+01 -1.5183E+01  3.5924E+00
HO            3449    1.008000    0.433000
  1.1855E+01 -1.4212E+01  3.6957E+00
HC            3450    1.008000    0.040000
  1.1803E+01 -1.5126E+01  1.4700E+00
HC            3451    1.008000    0.040000
  1.0388E+01 -1.4832E+01  2.3288E+00
HC            3452    1.008000    0.040000
  1.0932E+01 -1.6523E+01  2.1881E+00
CT            3453   12.011000    0.145000
 -2.5328E+00  9.5506E+00  1.3801E+01
OH            3454   15.999000   -0.698000
 -3.7272E+00  9.9488E+00  1.3078E+01
HO            3455    1.008000    0.433000
 -4.2569E+00  1.0276E+01  1.3797E+01
HC            3456    1.008000    0.040000
 -1.9096E+00  1.0463E+01  1.4017E+01
HC            3457    1.008000    0.040000
 -1.9509E+00  8.8005E+00  1.3271E+01
HC            3458    1.008000    0.040000
 -2.8169E+00  9.0347E+00  1.4740E+01
CT            3459   12.011000    0.145000
  1.5206E+01 -1.1572E+01 -8.4334E+00
OH            3460   15.999000   -0.698000
  1.5724E+01 -1.0313E+01 -8.2009E+00
HO            3461    1.008000    0.433000
  1.4993E+01 -9.7231E+00 -8.3969E+00
HC            3462    1.008000    0.040000
  1.4816E+01 -1.1966E+01 -7.4802E+00
HC            3463    1.008000    0.040000
  1.5901E+01 -1.2228E+01 -8.8739E+00
HC            3464    1.008000    0.040000
  1.4339E+01 -1.1389E+01 -9.1519E+00
CT            3465   12.011000    0.145000
 -1.5205E+01 -1.5260E+01 -1.1140E+01
OH            3466   15.999000   -0.698000
 -1.4662E+01 -1.5946E+01 -1.2254E+01
HO            3467    1.008000    0.433000
 -1.3934E+01 -1.6436E+01 -1.1930E+01
HC            3468    1.008000    0.040000
 -1.4587E+01 -1.4565E+01 -1.0520E+01
HC            3469    1.008000    0.040000
 -1.5659E+01 -1.5979E+01 -1.0441E+01
HC            3470    1.008000    0.040000
 -1.5920E+01 -1.4495E+01 -1.1548E+01
CT            3471   12.011000    0.145000
  1.7093E+01 -9.7919E-01 -5.5814E+00
OH            3472   15.999000   -0.698000
  1.7566E+01 -7.3422E-01 -6.8424E+00
HO            3473    1.008000    0.433000
  1.7359E+01  2.1132E-01 -7.0227E+00
HC            3474    1.008000    0.040000
  1.7516E+01 -2.5790E-01 -4.8393E+00
HC            3475    1.008000    0.040000
  1.7371E+01 -1.9696E+00 -5.2277E+00
HC            3476    1.008000    0.040000
  1.6006E+01 -1.0210E+00 -5.5465E+00
CT            3477   12.011000    0.145000
 -1.4227E+00  2.8662E+00  1.5685E+01
OH            3478   15.999000   -0.698000
 -8.5261E-01  1.7226E+00  1.6249E+01
HO            3479    1.008000    0.433000
 -1.6781E-01  1.3871E+00  1.5634E+01
HC            3480    1.008000    0.040000
 -2.1678E+00  3.1791E+00  1.6406E+01
HC            3481    1.008000    0.040000
 -2.1181E+00  2.6315E+00  1.4906E+01
HC            3482    1.008000    0.040000
 -7.2908E-01  3.6991E+00  1.5495E+01
CT            3483   12.011000    0.145000
  6.3822E+00 -8.4998E+00  1.1206E+01
OH            3484   15.999000   -0.698000
  7.4815E+00 -7.9625E+00  1.1886E+01
HO            3485    1.008000    0.433000
  7.3526E+00 -8.3270E+00  1.2774E+01
HC            3486    1.008000    0.040000
  6.3806E+00 -8.2392E+00  1.0135E+01
HC            3487    1.008000    0.040000
  5.4882E+00 -8.1405E+00  1.1682E+01
HC            3488    1.008000    0.040000
  6.4820E+00 -9.5933E+00  1.1232E+01
CT            3489   12.011000    0.145000
  1.6830E+01  9.0777E+00  1.7491E+01
OH            3490   15.999000   -0.698000
  1.6968E+01  7.8144E+00  1.8064E+01
HO            3491    1.008000    0.433000
  1.6381E+01  7.2239E+00  1.7618E+01
HC            3492    1.008000    0.040000
  1.5862E+01  9.4723E+00  1.7845E+01
HC            3493    1.008000    0.040000
  1.6802E+01  9.1320E+00  1.6407E+01
HC            3494    1.008000    0.040000
  1.7595E+01  9.7798E+00  1.7786E+01
CT            3495   12.011000    0.145000
 -1.5344E+01 -2.6132E+00 -4.8358E+00
OH            3496   15.999000   -0.698000
 -1.6040E+01 -1.3776E+00 -4.9825E+00
HO            3497    1.008000    0.433000
 -1.6568E+01 -1.3185E+00 -4.1822E+00
HC            3498    1.008000    0.040000
 -1.5982E+01 -3.4524E+00 -5.0410E+00
HC            3499    1.008000    0.040000
 -1.4940E+01 -2.7482E+00 -3.8812E+00
HC            3500    1.008000    0.040000
 -1.4600E+01 -2.6998E+00 -5.5506E+00
CT            3501   12.011000    0.145000
  3.4206E-02  1.1154E+01 -1.1347E+01
OH            3502   15.999000   -0.698000
  1.1642E+00  1.0907E+01 -1.2204E+01
HO            3503    1.008000    0.433000
  1.8412E+00  1.0396E+01 -1.1724E+01
HC            3504    1.008000    0.040000
 -5.0102E-01  1.0284E+01 -1.1004E+01
HC            3505    1.008000    0.040000
 -5.7541E-01  1.2015E+01 -1.1616E+01
HC            3506    1.008000    0.040000
  5.6465E-01  1.1420E+01 -1.0435E+01
CT            3507   12.011000    0.145000
  1.5839E+01 -9.4455E-01  1.1991E+01
OH            3508   15.999000   -0.698000
  1.5844E+01  1.7502E-01  1.1192E+01
HO            3509    1.008000    0.433000
  1.6588E+01  6.4272E-01  1.1465E+01
HC            3510    1.008000    0.040000
  1.6778E+01 -1.5389E+00  1.1870E+01
HC            3511    1.008000    0.040000
  1.5005E+01 -1.5675E+00  1.1839E+01
HC            3512    1.008000    0.040000
  1.5837E+01 -5.7144E-01  1.3032E+01
CT            3513   12.011000    0.145000
  6.2799E+00 -1.3838E+00  1.1626E+01
OH            3514   15.999000   -0.698000
  5.5288E+00 -1.7662E+00  1.2798E+01
HO            3515    1.008000    0.433000
  5.4033E+00 -2.7153E+00  1.2664E+01
HC            3516    1.008000    0.040000
  5.6569E+00 -1.0492E+00  1.0837E+01
HC            3517    1.008000    0.040000
  7.0378E+00 -2.1918E+00  1.1346E+01
HC            3518    1.008000    0.040000
  6.9018E+00 -4.9375E-01  1.1853E+01
CT            3519   12.011000    0.145000
 -3.6809E-01  2.0423E+00 -1.6837E+01
OH            3520   15.999000   -0.698000
 -1.3468E+00  1.1880E+00 -1.7450E+01
HO            3521    1.008000    0.433000
 -1.3035E+00  1.3583E+00  1.7850E+01
HC            3522    1.008000    0.040000
 -2.2006E-01  1.7280E+00 -1.5789E+01
HC            3523    1.008000    0.040000
 -7.8851E-01  3.0461E+00 -1.6784E+01
HC            3524    1.008000    0.040000
  4.9091E-01  2.0398E+00 -1.7510E+01
CT            3525   12.011000    0.145000
  4.7739E-01  1.5650E+01  1.1100E+01
OH            3526   15.999000   -0.698000
  1.5074E+00  1.5894E+01  1.2079E+01
HO            3527    1.008000    0.433000
  2.3156E+00  1.5975E+01  1.1661E+01
HC            3528    1.008000    0.040000
  3.6986E-01  1.4547E+01  1.1099E+01
HC            3529    1.008000    0.040000
  8.3341E-01  1.6093E+01  1.0118E+01
HC            3530    1.008000    0.040000
 -4.5401E-01  1.6074E+01  1.1493E+01
CT            3531   12.011000    0.145000
 -5.1832E+00 -1.7390E+01  1.5708E+01
OH            3532   15.999000   -0.698000
 -4.9145E+00 -1.7064E+01  1.4385E+01
HO            3533    1.008000    0.433000
 -4.2687E+00 -1.6393E+01  1.4378E+01
HC            3534    1.008000    0.040000
 -5.6106E+00 -1.6580E+01  1.6239E+01
HC            3535    1.008000    0.040000
 -4.2791E+00 -1.7836E+01  1.6180E+01
HC            3536    1.008000    0.040000
 -5.8703E+00  1.8038E+01  1.5783E+01
CT            3537   12.011000    0.145000
  1.2773E+01  9.6582E+00 -2.6037E+00
OH            3538   15.999000   -0.698000
  1.3199E+01  8.5882E+00 -1.8525E+00
HO            3539    1.008000    0.433000
  1.3969E+01  8.9358E+00 -1.3401E+00
HC            3540    1.008000    0.040000
  1.2204E+01  9.2848E+00 -3.4605E+00
HC            3541    1.008000    0.040000
  1.3616E+01  9.9697E+00 -3.0762E+00
HC            3542    1.008000    0.040000
  1.2213E+01  1.0394E+01 -2.1009E+00
CT            3543   12.011000    0.145000
  4.2670E+00 -1.6443E+01  1.4838E+01
OH            3544   15.999000   -0.698000
  5.2888E+00 -1.7406E+01  1.4563E+01
HO            3545    1.008000    0.433000
  4.9082E+00  1.8008E+01  1.4781E+01
HC            3546    1.008000    0.040000
  3.5782E+00 -1.6647E+01  1.5736E+01
HC            3547    1.008000    0.040000
  3.4335E+00 -1.6494E+01  1.4058E+01
HC            3548    1.008000    0.040000
  4.5262E+00 -1.5358E+01  1.4965E+01
CT            3549   12.011000    0.145000
  1.4250E+01 -2.6043E+00  3.6709E+00
OH            3550   15.999000   -0.698000
  1.5395E+01 -3.0573E+00  3.1848E+00
HO            3551    1.008000    0.433000
  1.5194E+01 -3.8954E+00  2.8486E+00
HC            3552    1.008000    0.040000
  1.4425E+01 -1.6216E+00  4.0641E+00
HC            3553    1.008000    0.040000
  1.3953E+01 -3.1505E+00  4.5075E+00
HC            3554    1.008000    0.040000
  1.3435E+01 -2.5031E+00  2.9342E+00
CT            3555   12.011000    0.145000
  6.6370E+00  1.2122E+01  1.5386E+01
OH            3556   15.999000   -0.698000
  7.9400E+00  1.2604E+01  1.5403E+01
HO            3557    1.008000    0.433000
  7.9128E+00  1.3544E+01  1.5519E+01
HC            3558    1.008000    0.040000
  6.7237E+00  1.1048E+01  1.5475E+01
HC            3559    1.008000    0.040000
  6.1560E+00  1.2449E+01  1.4422E+01
HC            3560    1.008000    0.040000
  6.2071E+00  1.2532E+01  1.6304E+01
CT            3561   12.011000    0.145000
 -1.0366E+01 -2.0489E+00  1.0165E-01
OH            3562   15.999000   -0.698000
 -1.0646E+01 -2.5917E+00  1.3095E+00
HO            3563    1.008000    0.433000
 -1.1370E+01 -2.0541E+00  1.7329E+00
HC            3564    1.008000    0.040000
 -9.4641E+00 -2.5987E+00 -2.8200E-01
HC            3565    1.008000    0.040000
 -1.0074E+01 -1.0217E+00  6.1596E-02
HC            3566    1.008000    0.040000
 -1.1127E+01 -2.1974E+00 -6.9925E-01
CT            3567   12.011000    0.145000
 -7.2358E+00  1.3225E+01 -1.4664E+01
OH            3568   15.999000   -0.698000
 -7.4531E+00  1.1810E+01 -1.4664E+01
HO            3569    1.008000    0.433000
 -8.2682E+00  1.1547E+01 -1.5032E+01
HC            3570    1.008000    0.040000
 -7.3840E+00  1.3526E+01 -1.5690E+01
HC            3571    1.008000    0.040000
 -6.2119E+00  1.3414E+01 -1.4222E+01
HC            3572    1.008000    0.040000
 -8.1088E+00  1.3695E+01 -1.4113E+01
CT            3573   12.011000    0.145000
  8.8566E+00  2.6569E+00 -2.8299E+00
OH            3574   15.999000   -0.698000
  8.6905E+00  2.0852E+00 -4.0944E+00
HO            3575    1.008000    0.433000
  8.7131E+00  1.0870E+00 -4.0389E+00
HC            3576    1.008000    0.040000
  8.0793E+00  3.4287E+00 -2.6599E+00
HC            3577    1.008000    0.040000
  9.8230E+00  3.1826E+00 -2.7785E+00
HC            3578    1.008000    0.040000
  8.8970E+00  1.8836E+00 -2.0554E+00
CT            3579   12.011000    0.145000
 -6.3846E+00 -6.4468E+00  3.4435E+00
OH            3580   15.999000   -0.698000
 -5.5819E+00 -7.5934E+00  3.3184E+00
HO            3581    1.008000    0.433000
 -6.1911E+00 -8.2211E+00  2.9286E+00
HC            3582    1.008000    0.040000
 -7.1425E+00 -6.8259E+00  4.1342E+00
HC            3583    1.008000    0.040000
 -6.9214E+00 -5.9400E+00  2.6037E+00
HC            3584    1.008000    0.040000
 -5.8500E+00 -5.7093E+00  4.0288E+00
CT            3585   12.011000    0.145000
  1.0200E+01  1.6673E+01 -1.2596E+01
OH            3586   15.999000   -0.698000
  1.0602E+01  1.5419E+01 -1.3087E+01
HO            3587    1.008000    0.433000
  9.9260E+00  1.5044E+01 -1.3655E+01
HC            3588    1.008000    0.040000
  1.1126E+01  1.7205E+01 -1.2311E+01
HC            3589    1.008000    0.040000
  9.4204E+00  1.6701E+01 -1.1810E+01
HC            3590    1.008000    0.040000
  9.8765E+00  1.7309E+01 -1.3447E+01
CT            3591   12.011000    0.145000
  7.0007E+00 -8.0578E+00 -8.5076E+00
OH            3592   15.999000   -0.698000
  5.9191E+00 -8.3368E+00 -9.3744E+00
HO            3593    1.008000    0.433000
  6.3218E+00 -8.4472E+00 -1.0266E+01
HC            3594    1.008000    0.040000
  7.9282E+00 -8.2320E+00 -8.9560E+00
HC            3595    1.008000    0.040000
  7.1296E+00 -8.7061E+00 -7.6528E+00
HC            3596    1.008000    0.040000
  6.9382E+00 -7.0214E+00 -8.1458E+00
CT            3597   12.011000    0.145000
 -3.6042E+00 -2.5521E+00  9.8605E+00
OH            3598   15.999000   -0.698000
 -3.5103E+00 -2.1036E+00  1.1247E+01
HO            3599    1.008000    0.433000
 -4.0040E+00 -1.3518E+00  1.1427E+01
HC            3600    1.008000    0.040000
 -4.3538E+00 -1.9811E+00  9.2654E+00
HC            3601    1.008000    0.040000
 -3.7208E+00 -3.6253E+00  9.8636E+00
HC            3602    1.008000    0.040000
 -2.6957E+00 -2.4423E+00  9.4365E+00
CT            3603   12.011000    0.145000
 -1.1743E+01 -5.0683E+00 -6.2111E+00
OH            3604   15.999000   -0.698000
 -1.2681E+01 -3.9826E+00 -6.1664E+00
HO            3605    1.008000    0.433000
 -1.2275E+01 -3.3913E+00 -5.4517E+00
HC            3606    1.008000    0.040000
 -1.1659E+01 -5.4495E+00 -7.2107E+00
HC            3607    1.008000    0.040000
 -1.2227E+01 -5.8492E+00 -5.6394E+00
HC            3608    1.008000    0.040000
 -1.0798E+01 -4.7819E+00 -5.8584E+00
CT            3609   12.011000    0.145000
 -1.5626E+01  5.3169E+00  1.2285E+01
OH            3610   15.999000   -0.698000
 -1.4815E+01  6.1859E+00  1.1572E+01
HO            3611    1.008000    0.433000
 -1.4477E+01  6.8437E+00  1.2149E+01
HC            3612    1.008000    0.040000
 -1.6001E+01  4.4094E+00  1.1654E+01
HC            3613    1.008000    0.040000
 -1.6427E+01  5.8755E+00  1.2728E+01
HC            3614    1.008000    0.040000
 -1.4903E+01  4.9311E+00  1.2977E+01
CT            3615   12.011000    0.145000
 -2.2640E+00 -6.6293E+00  2.0211E+00
OH            3616   15.999000   -0.698000
 -1.1789E+00 -6.2380E+00  1.1519E+00
HO            3617    1.008000    0.433000
 -5.9784E-01 -5.5968E+00  1.6649E+00
HC            3618    1.008000    0.040000
 -1.7978E+00 -6.9082E+00  3.0343E+00
HC            3619    1.008000    0.040000
 -2.6637E+00 -7.6148E+00  1.6327E+00
HC            3620    1.008000    0.040000
 -3.1382E+00 -5.9758E+00  2.2149E+00
CT            3621   12.011000    0.145000
  1.0492E+01  6.1581E+00  1.3628E+01
OH            3622   15.999000   -0.698000
  9.7922E+00  6.4810E+00  1.4824E+01
HO            3623    1.008000    0.433000
  1.0301E+01  7.2158E+00  1.5202E+01
HC            3624    1.008000    0.040000
  9.9567E+00  5.3435E+00  1.3012E+01
HC            3625    1.008000    0.040000
  1.1457E+01  5.7572E+00  1.3890E+01
HC            3626    1.008000    0.040000
  1.0686E+01  7.0807E+00  1.3009E+01
CT            3627   12.011000    0.145000
  1.3971E+01  5.4576E+00 -1.3662E+01
OH            3628   15.999000   -0.698000
  1.3753E+01  4.4135E+00 -1.2765E+01
HO            3629    1.008000    0.433000
  1.3088E+01  3.8838E+00 -1.3180E+01
HC            3630    1.008000    0.040000
  1.3038E+01  6.0108E+00 -1.3828E+01
HC            3631    1.008000    0.040000
  1.4322E+01  4.9698E+00 -1.4580E+01
HC            3632    1.008000    0.040000
  1.4769E+01  6.1778E+00 -1.3443E+01
CT            3633   12.011000    0.145000
  1.5825E+01 -1.1271E+01  1.4139E+01
OH            3634   15.999000   -0.698000
  1.4741E+01 -1.0512E+01  1.4528E+01
HO            3635    1.008000    0.433000
  1.4169E+01 -1.1138E+01  1.5060E+01
HC            3636    1.008000    0.040000
  1.6735E+01 -1.0662E+01  1.4091E+01
HC            3637    1.008000    0.040000
  1.5635E+01 -1.1668E+01  1.3115E+01
HC            3638    1.008000    0.040000
  1.6003E+01 -1.2041E+01  1.4899E+01
CT            3639   12.011000    0.145000
 -1.4450E+01  1.6013E+01 -1.2297E+01
OH            3640   15.999000   -0.698000
 -1.3307E+01  1.6296E+01 -1.1543E+01
HO            3641    1.008000    0.433000
 -1.2910E+01  1.5479E+01 -1.1309E+01
HC            3642    1.008000    0.040000
 -1.4881E+01  1.6919E+01 -1.2729E+01
HC            3643    1.008000    0.040000
 -1.5211E+01  1.5476E+01 -1.1701E+01
HC            3644    1.008000    0.040000
 -1.4149E+01  1.5477E+01 -1.3228E+01
CT            3645   12.011000    0.145000
  7.3647E+00  1.1435E+01 -3.6475E+00
OH            3646   15.999000   -0.698000
  8.3630E+00  1.2095E+01 -4.3277E+00
HO            3647    1.008000    0.433000
  8.8295E+00  1.1387E+01 -4.7687E+00
HC            3648    1.008000    0.040000
  7.6667E+00  1.0504E+01 -3.2141E+00
HC            3649    1.008000    0.040000
  6.5519E+00  1.1073E+01 -4.2806E+00
HC            3650    1.008000    0.040000
  6.9299E+00  1.2068E+01 -2.8796E+00
CT            3651   12.011000    0.145000
  1.2123E+01 -1.1068E+01 -5.9195E+00
OH            3652   15.999000   -0.698000
  1.1202E+01 -1.0178E+01 -6.5139E+00
HO            3653    1.008000    0.433000
  1.1439E+01 -9.2473E+00 -6.5024E+00
HC            3654    1.008000    0.040000
  1.2151E+01 -1.2012E+01 -6.4017E+00
HC            3655    1.008000    0.040000
  1.1859E+01 -1.1118E+01 -4.8645E+00
HC            3656    1.008000    0.040000
  1.3252E+01 -1.0876E+01 -6.0506E+00
CT            3657   12.011000    0.145000
  7.7824E-02  8.1444E+00  1.4001E+00
OH            3658   15.999000   -0.698000
 -4.3843E-01  9.3892E+00  1.7653E+00
HO            3659    1.008000    0.433000
 -3.9916E-01  9.5435E+00  2.7052E+00
HC            3660    1.008000    0.040000
 -5.5708E-03  7.9418E+00  3.1890E-01
HC            3661    1.008000    0.040000
 -5.6698E-01  7.4150E+00  1.8658E+00
HC            3662    1.008000    0.040000
  1.1084E+00  8.0111E+00  1.5920E+00
CT            3663   12.011000    0.145000
  4.2546E-01  1.4890E+01 -9.4308E+00
OH            3664   15.999000   -0.698000
  7.1173E-01  1.5878E+01 -1.0387E+01
HO            3665    1.008000    0.433000
  1.2794E+00  1.6498E+01 -9.8522E+00
HC            3666    1.008000    0.040000
  1.3633E-01  1.4038E+01 -1.0007E+01
HC            3667    1.008000    0.040000
 -3.7410E-01  1.5094E+01 -8.7598E+00
HC            3668    1.008000    0.040000
  1.3181E+00  1.4661E+01 -8.8638E+00
CT            3669   12.011000    0.145000
 -1.5534E+01 -1.2740E+01  4.6179E+00
OH            3670   15.999000   -0.698000
 -1.4423E+01 -1.2071E+01  5.2913E+00
HO            3671    1.008000    0.433000
 -1.3947E+01 -1.1683E+01  4.5422E+00
HC            3672    1.008000    0.040000
 -1.6204E+01 -1.3189E+01  5.2976E+00
HC            3673    1.008000    0.040000
 -1.5256E+01 -1.3430E+01  3.8463E+00
HC            3674    1.008000    0.040000
 -1.6075E+01 -1.1957E+01  4.1035E+00
CT            3675   12.011000    0.145000
  5.9367E+00 -6.3662E+00  5.2643E+00
OH            3676   15.999000   -0.698000
  6.8213E+00 -7.2863E+00  5.8158E+00
HO            3677    1.008000    0.433000
  7.7519E+00 -6.9751E+00  5.6684E+00
HC            3678    1.008000    0.040000
  6.2552E+00 -5.8970E+00  4.2620E+00
HC            3679    1.008000    0.040000
  5.7697E+00 -5.5237E+00  5.9372E+00
HC            3680    1.008000    0.040000
  4.9720E+00 -6.8691E+00  5.0947E+00
CT            3681   12.011000    0.145000
  1.6461E+01  5.1886E-01  6.0080E+00
OH            3682   15.999000   -0.698000
  1.5135E+01  9.3911E-01  6.1463E+00
HO            3683    1.008000    0.433000
  1.4937E+01  1.4513E+00  5.3608E+00
HC            3684    1.008000    0.040000
  1.7074E+01  1.0801E+00  5.3284E+00
HC            3685    1.008000    0.040000
  1.6506E+01 -5.3095E-01  5.8220E+00
HC            3686    1.008000    0.040000
  1.6873E+01  6.3235E-01  7.0196E+00
CT            3687   12.011000    0.145000
  1.2666E+01  1.5234E+01 -5.7060E+00
OH            3688   15.999000   -0.698000
  1.1975E+01  1.4277E+01 -6.4254E+00
HO            3689    1.008000    0.433000
  1.2178E+01  1.4305E+01 -7.3514E+00
HC            3690    1.008000    0.040000
  1.2592E+01  1.6152E+01 -6.2520E+00
HC            3691    1.008000    0.040000
  1.3694E+01  1.4973E+01 -5.9120E+00
HC            3692    1.008000    0.040000
  1.2479E+01  1.5283E+01 -4.6662E+00
CT            3693   12.011000    0.145000
 -3.4146E+00 -1.4964E+01 -1.4658E+00
OH            3694   15.999000   -0.698000
 -3.5677E+00 -1.3646E+01 -9.2621E-01
HO            3695    1.008000    0.433000
 -2.6766E+00 -1.3395E+01 -5.6106E-01
HC            3696    1.008000    0.040000
 -3.2941E+00 -1.4890E+01 -2.5791E+00
HC            3697    1.008000    0.040000
 -4.2724E+00 -1.5569E+01 -1.0329E+00
HC            3698    1.008000    0.040000
 -2.5051E+00 -1.5467E+01 -1.0445E+00
CT            3699   12.011000    0.145000
  7.4099E+00 -3.1128E+00  4.6571E+00
OH            3700   15.999000   -0.698000
  8.0719E+00 -4.1594E+00  3.9528E+00
HO            3701    1.008000    0.433000
  7.7565E+00 -4.2208E+00  3.0304E+00
HC            3702    1.008000    0.040000
  6.4858E+00 -3.4947E+00  4.9214E+00
HC            3703    1.008000    0.040000
  7.2912E+00 -2.2185E+00  4.0953E+00
HC            3704    1.008000    0.040000
  7.9272E+00 -2.7846E+00  5.5042E+00
CT            3705   12.011000    0.145000
  2.8277E+00 -1.3414E+01  3.7654E-02
OH            3706   15.999000   -0.698000
  3.4504E+00 -1.4268E+01  9.5402E-01
HO            3707    1.008000    0.433000
  4.3127E+00 -1.3856E+01  1.0379E+00
HC            3708    1.008000    0.040000
  2.7531E+00 -1.2473E+01  5.0782E-01
HC            3709    1.008000    0.040000
  1.8721E+00 -1.3751E+01 -2.7324E-01
HC            3710    1.008000    0.040000
  3.3399E+00 -1.3301E+01 -8.7541E-01
CT            3711   12.011000    0.145000
 -6.8594E+00 -1.1631E+01 -1.5326E+01
OH            3712   15.999000   -0.698000
 -6.2018E+00 -1.1072E+01 -1.4179E+01
HO            3713    1.008000    0.433000
 -5.2435E+00 -1.1159E+01 -1.4300E+01
HC            3714    1.008000    0.040000
 -6.5055E+00 -1.1104E+01 -1.6229E+01
HC            3715    1.008000    0.040000
 -7.9636E+00 -1.1436E+01 -1.5239E+01
HC            3716    1.008000    0.040000
 -6.7341E+00 -1.2801E+01 -1.5347E+01
CT            3717   12.011000    0.145000
  1.5507E+01  1.0300E+01  2.5048E+00
OH            3718   15.999000   -0.698000
  1.6613E+01  1.0498E+01  1.5604E+00
HO            3719    1.008000    0.433000
  1.6184E+01  1.0728E+01  7.3362E-01
HC            3720    1.008000    0.040000
  1.5038E+01  9.2969E+00  2.4440E+00
HC            3721    1.008000    0.040000
  1.4793E+01  1.1037E+01  2.3726E+00
HC            3722    1.008000    0.040000
  1.5803E+01  1.0490E+01  3.5501E+00
CT            3723   12.011000    0.145000
 -8.8411E+00  9.0232E+00  4.6351E+00
OH            3724   15.999000   -0.698000
 -8.7409E+00  8.0591E+00  5.7555E+00
HO            3725    1.008000    0.433000
 -9.5281E+00  8.2070E+00  6.2949E+00
HC            3726    1.008000    0.040000
 -8.5005E+00  1.0037E+01  4.9708E+00
HC            3727    1.008000    0.040000
 -9.9027E+00  9.1020E+00  4.3546E+00
HC            3728    1.008000    0.040000
 -8.2767E+00  8.7863E+00  3.6830E+00
CT            3729   12.011000    0.145000
  1.5747E+01  1.3813E+00 -8.8824E+00
OH            3730   15.999000   -0.698000
  1.6438E+01  1.7944E+00 -7.7570E+00
HO            3731    1.008000    0.433000
  1.5889E+01  1.9639E+00 -6.9764E+00
HC            3732    1.008000    0.040000
  1.5147E+01  4.4121E-01 -8.7350E+00
HC            3733    1.008000    0.040000
  1.6397E+01  1.4081E+00 -9.7805E+00
HC            3734    1.008000    0.040000
  1.4981E+01  2.1206E+00 -8.9919E+00
CT            3735   12.011000    0.145000
 -7.9318E-01  3.6570E-01 -1.2570E+01
OH            3736   15.999000   -0.698000
  2.3451E-01 -1.1512E-01 -1.3396E+01
HO            3737    1.008000    0.433000
 -1.9557E-01 -5.3301E-02 -1.4252E+01
HC            3738    1.008000    0.040000
 -1.7005E+00 -1.9792E-01 -1.2758E+01
HC            3739    1.008000    0.040000
 -1.0442E+00  1.4751E+00 -1.2631E+01
HC            3740    1.008000    0.040000
 -5.4149E-01  2.9519E-02 -1.1566E+01
CT            3741   12.011000    0.145000
  3.7013E+00 -3.9294E-01  7.9152E-01
OH            3742   15.999000   -0.698000
  3.6044E+00  1.0204E+00  5.2289E-01
HO            3743    1.008000    0.433000
  4.2575E+00  1.1522E+00 -1.2593E-01
HC            3744    1.008000    0.040000
  3.4741E+00 -9.8971E-01 -7.7112E-02
HC            3745    1.008000    0.040000
  3.0260E+00 -5.1237E-01  1.5909E+00
HC            3746    1.008000    0.040000
  4.6375E+00 -7.8925E-01  1.2844E+00
CT            3747   12.011000    0.145000
 -1.3450E+01 -2.8895E+00  8.9153E+00
OH            3748   15.999000   -0.698000
 -1.2758E+01 -3.2959E+00  1.0076E+01
HO            3749    1.008000    0.433000
 -1.3350E+01 -3.1930E+00  1.0834E+01
HC            3750    1.008000    0.040000
 -1.3126E+01 -1.9247E+00  8.4978E+00
HC            3751    1.008000    0.040000
 -1.4552E+01 -2.8477E+00  9.0569E+00
HC            3752    1.008000    0.040000
 -1.3225E+01 -3.5857E+00  8.1116E+00
CT            3753   12.011000    0.145000
  1.1330E+01  5.2668E+00  5.3840E+00
OH            3754   15.999000   -0.698000
  1.1434E+01  4.6822E+00  4.1423E+00
HO            3755    1.008000    0.433000
  1.2300E+01  4.7446E+00  3.7849E+00
HC            3756    1.008000    0.040000
  1.2092E+01  6.0717E+00  5.3972E+00
HC            3757    1.008000    0.040000
  1.1524E+01  4.5630E+00  6.1542E+00
HC            3758    1.008000    0.040000
  1.0360E+01  5.7305E+00  5.5087E+00
CT            3759   12.011000    0.145000
  3.2560E+00 -3.0670E+00 -3.1159E+00
OH            3760   15.999000   -0.698000
  2.7731E+00 -2.5144E+00 -1.8821E+00
HO            3761    1.008000    0.433000
  2.6516E+00 -3.2460E+00 -1.2296E+00
HC            3762    1.008000    0.040000
  3.2183E+00 -4.2149E+00 -3.0851E+00
HC            3763    1.008000    0.040000
  4.3338E+00 -2.8658E+00 -3.2006E+00
HC            3764    1.008000    0.040000
  2.8058E+00 -2.6991E+00 -4.0782E+00
CT            3765   12.011000    0.145000
 -5.5102E+00  1.7062E+01 -1.1540E+01
OH            3766   15.999000   -0.698000
 -6.6378E+00  1.7464E+01 -1.0729E+01
HO            3767    1.008000    0.433000
 -7.0862E+00  1.6663E+01 -1.0578E+01
HC            3768    1.008000    0.040000
 -5.2446E+00  1.7826E+01 -1.2275E+01
HC            3769    1.008000    0.040000
 -5.8660E+00  1.6141E+01 -1.2037E+01
HC            3770    1.008000    0.040000
 -4.7032E+00  1.6870E+01 -1.0832E+01
CT            3771   12.011000    0.145000
 -1.1929E+01 -1.0289E+00 -4.0647E+00
OH            3772   15.999000   -0.698000
 -1.1320E+01 -2.0967E+00 -4.7591E+00
HO            3773    1.008000    0.433000
 -1.0646E+01 -2.4664E+00 -4.1588E+00
HC            3774    1.008000    0.040000
 -1.1121E+01 -4.3300E-01 -3.5060E+00
HC            3775    1.008000    0.040000
 -1.2653E+01 -1.3423E+00 -3.3418E+00
HC            3776    1.008000    0.040000
 -1.2390E+01 -4.1899E-01 -4.7872E+00
CT            3777   12.011000    0.145000
 -1.1071E+01  6.3510E+00  1.3083E+01
OH            3778   15.999000   -0.698000
 -1.1005E+01  6.5197E+00  1.1681E+01
HO            3779    1.008000    0.433000
 -1.1198E+01  5.6640E+00  1.1316E+01
HC            3780    1.008000    0.040000
 -1.2010E+01  6.6924E+00  1.3335E+01
HC            3781    1.008000    0.040000
 -1.0201E+01  6.7812E+00  1.3523E+01
HC            3782    1.008000    0.040000
 -1.1071E+01  5.3584E+00  1.3371E+01
CT            3783   12.011000    0.145000
 -1.5667E+00  5.4149E-01  8.6459E+00
OH            3784   15.999000   -0.698000
 -1.3405E+00  1.8414E+00  8.0830E+00
HO            3785    1.008000    0.433000
 -4.9142E-01  1.7005E+00  7.5955E+00
HC            3786    1.008000    0.040000
 -2.6525E+00  5.4291E-01  8.9995E+00
HC            3787    1.008000    0.040000
 -9.1310E-01  2.0249E-01  9.4680E+00
HC            3788    1.008000    0.040000
 -1.5052E+00 -1.9602E-01  7.8030E+00
CT            3789   12.011000    0.145000
 -7.4856E+00 -9.2870E+00 -1.1947E+00
OH            3790   15.999000   -0.698000
 -7.8828E+00 -8.3059E+00 -2.9137E-01
HO            3791    1.008000    0.433000
 -7.9462E+00 -8.6392E+00  6.0380E-01
HC            3792    1.008000    0.040000
 -7.9353E+00 -1.0277E+01 -1.1679E+00
HC            3793    1.008000    0.040000
 -6.5335E+00 -9.4898E+00 -8.5713E-01
HC            3794    1.008000    0.040000
 -7.3222E+00 -9.0012E+00 -2.2117E+00
CT            3795   12.011000    0.145000
  4.6762E+00 -7.0527E+00 -1.2834E+00
OH            3796   15.999000   -0.698000
  6.0561E+00 -6.7999E+00 -1.2424E+00
HO            3797    1.008000    0.433000
  6.5133E+00 -7.1074E+00 -2.0828E+00
HC            3798    1.008000    0.040000
  4.1972E+00 -7.1374E+00 -3.0642E-01
HC            3799    1.008000    0.040000
  4.5020E+00 -7.9647E+00 -1.9205E+00
HC            3800    1.008000    0.040000
  4.1874E+00 -6.2450E+00 -1.7747E+00
CT            3801   12.011000    0.145000
  1.5623E+01 -1.3877E+01 -1.4481E+01
OH            3802   15.999000   -0.698000
  1.6810E+01 -1.4306E+01 -1.5145E+01
HO            3803    1.008000    0.433000
  1.6739E+01 -1.3859E+01 -1.5967E+01
HC            3804    1.008000    0.040000
  1.5452E+01 -1.2855E+01 -1.4728E+01
HC            3805    1.008000    0.040000
  1.5876E+01 -1.3958E+01 -1.3419E+01
HC            3806    1.008000    0.040000
  1.4760E+01 -1.4495E+01 -1.4660E+01
CT            3807   12.011000    0.145000
 -6.1864E+00  1.1745E+01  1.4572E+01
OH            3808   15.999000   -0.698000
 -5.0658E+00  1.0978E+01  1.5079E+01
HO            3809    1.008000    0.433000
 -5.1523E+00  1.0709E+01  1.6028E+01
HC            3810    1.008000    0.040000
 -6.5056E+00  1.2497E+01  1.5223E+01
HC            3811    1.008000    0.040000
 -7.0061E+00  1.1080E+01  1.4590E+01
HC            3812    1.008000    0.040000
 -6.0163E+00  1.1924E+01  1.3526E+01
CT            3813   12.011000    0.145000
 -7.3474E+00  1.5522E+01  1.6216E+01
OH            3814   15.999000   -0.698000
 -6.9674E+00  1.6080E+01  1.7506E+01
HO            3815    1.008000    0.433000
 -7.7818E+00  1.6192E+01  1.8055E+01
HC            3816    1.008000    0.040000
 -6.5875E+00  1.5605E+01  1.5451E+01
HC            3817    1.008000    0.040000
 -8.2602E+00  1.5978E+01  1.5833E+01
HC            3818    1.008000    0.040000
 -7.5278E+00  1.4398E+01  1.6270E+01
CT            3819   12.011000    0.145000
  2.5093E+00  2.2656E+00 -2.7614E+00
OH            3820   15.999000   -0.698000
  3.0608E+00  9.9296E-01 -3.0105E+00
HO            3821    1.008000    0.433000
  3.9694E+00  1.0186E+00 -2.7940E+00
HC            3822    1.008000    0.040000
  2.9256E+00  2.8394E+00 -3.5274E+00
HC            3823    1.008000    0.040000
  2.8058E+00  2.6816E+00 -1.7995E+00
HC            3824    1.008000    0.040000
  1.3659E+00  2.2873E+00 -2.9108E+00
CT            3825   12.011000    0.145000
  7.1226E+00  9.0861E+00  6.5887E+00
OH            3826   15.999000   -0.698000
  6.9636E+00  7.7954E+00  6.1576E+00
HO            3827    1.008000    0.433000
  6.6613E+00  7.9032E+00  5.2907E+00
HC            3828    1.008000    0.040000
  6.9114E+00  9.9027E+00  5.9366E+00
HC            3829    1.008000    0.040000
  8.1499E+00  9.1959E+00  6.8833E+00
HC            3830    1.008000    0.040000
  6.5024E+00  9.1524E+00  7.5235E+00
CT            3831   12.011000    0.145000
 -9.9282E+00  3.9912E+00  1.6568E+01
OH            3832   15.999000   -0.698000
 -1.0222E+01  5.3688E+00  1.6684E+01
HO            3833    1.008000    0.433000
 -9.4782E+00  5.8981E+00  1.6346E+01
HC            3834    1.008000    0.040000
 -8.8464E+00  3.7304E+00  1.6483E+01
HC            3835    1.008000    0.040000
 -1.0308E+01  3.6025E+00  1.5618E+01
HC            3836    1.008000    0.040000
 -1.0497E+01  3.5309E+00  1.7317E+01
CT            3837   12.011000    0.145000
  1.0508E+01  1.3027E+01 -1.9930E+00
OH            3838   15.999000   -0.698000
  1.0424E+01  1.4410E+01 -2.1414E+00
HO            3839    1.008000    0.433000
  1.0137E+01  1.4617E+01 -3.0505E+00
HC            3840    1.008000    0.040000
  1.1039E+01  1.2646E+01 -1.1272E+00
HC            3841    1.008000    0.040000
  1.1047E+01  1.2517E+01 -2.8077E+00
HC            3842    1.008000    0.040000
  9.4754E+00  1.2616E+01 -1.8597E+00
CT            3843   12.011000    0.145000
 -9.5692E+00 -1.7110E+01  7.2613E+00
OH            3844   15.999000   -0.698000
 -1.0109E+01 -1.7479E+01  8.5717E+00
HO            3845    1.008000    0.433000
 -9.3845E+00 -1.7525E+01  9.2558E+00
HC            3846    1.008000    0.040000
 -1.0302E+01 -1.7217E+01  6.5132E+00
HC            3847    1.008000    0.040000
 -8.7047E+00 -1.7720E+01  7.0672E+00
HC            3848    1.008000    0.040000
 -9.1750E+00 -1.6060E+01  7.2935E+00
CT            3849   12.011000    0.145000
 -1.6124E+01 -1.2217E+01 -1.5151E+01
OH            3850   15.999000   -0.698000
 -1.4719E+01 -1.2322E+01 -1.5470E+01
HO            3851    1.008000    0.433000
 -1.4505E+01 -1.1437E+01 -1.5197E+01
HC            3852    1.008000    0.040000
 -1.6471E+01 -1.3194E+01 -1.5046E+01
HC            3853    1.008000    0.040000
 -1.6792E+01 -1.1752E+01 -1.5831E+01
HC            3854    1.008000    0.040000
 -1.6358E+01 -1.1785E+01 -1.4196E+01
CT            3855   12.011000    0.145000
  3.3896E+00  8.0132E+00  1.4291E+01
OH            3856   15.999000   -0.698000
  2.3892E+00  8.7393E+00  1.3577E+01
HO            3857    1.008000    0.433000
  2.0718E+00  8.0969E+00  1.2866E+01
HC            3858    1.008000    0.040000
  3.1095E+00  7.2850E+00  1.5019E+01
HC            3859    1.008000    0.040000
  4.0391E+00  8.7406E+00  1.4792E+01
HC            3860    1.008000    0.040000
  4.0300E+00  7.4192E+00  1.3561E+01
CT            3861   12.011000    0.145000
 -1.1881E+01  1.2236E+01  3.9309E+00
OH            3862   15.999000   -0.698000
 -1.1967E+01  1.2717E+01  2.6411E+00
HO            3863    1.008000    0.433000
 -1.1013E+01  1.2823E+01  2.4459E+00
HC            3864    1.008000    0.040000
 -1.2702E+01  1.1540E+01  4.1282E+00
HC            3865    1.008000    0.040000
 -1.2004E+01  1.2924E+01  4.7634E+00
HC            3866    1.008000    0.040000
 -1.0980E+01  1.1674E+01  4.0363E+00
CT            3867   12.011000    0.145000
  1.4325E+01  1.7279E+01  9.1838E+00
OH            3868   15.999000   -0.698000
  1.4323E+01  1.6432E+01  8.0639E+00
HO            3869    1.008000    0.433000
  1.5214E+01  1.6044E+01  8.0419E+00
HC            3870    1.008000    0.040000
  1.3938E+01  1.6793E+01  1.0076E+01
HC            3871    1.008000    0.040000
  1.3640E+01 -1.8116E+01  8.9151E+00
HC            3872    1.008000    0.040000
  1.5283E+01  1.7797E+01  9.3679E+00
CT            3873   12.011000    0.145000
 -6.3287E+00 -6.3458E+00 -1.5551E+01
OH            3874   15.999000   -0.698000
 -5.1858E+00 -6.8925E+00 -1.4781E+01
HO            3875    1.008000    0.433000
 -5.7064E+00 -7.3768E+00 -1.4162E+01
HC            3876    1.008000    0.040000
 -5.8997E+00 -5.4353E+00 -1.6048E+01
HC            3877    1.008000    0.040000
 -7.1136E+00 -6.0469E+00 -1.4961E+01
HC            3878    1.008000    0.040000
 -6.7852E+00 -7.0197E+00 -1.6240E+01
CT            3879   12.011000    0.145000
  1.3721E+01  4.9480E+00  1.7007E+00
OH            3880   15.999000   -0.698000
  1.3827E+01  4.7814E+00  3.1040E+00
HO            3881    1.008000    0.433000
  1.4264E+01  5.5246E+00  3.4460E+00
HC            3882    1.008000    0.040000
  1.4294E+01  4.1837E+00  1.2310E+00
HC            3883    1.008000    0.040000
  1.3987E+01  5.9629E+00  1.3915E+00
HC            3884    1.008000    0.040000
  1.2637E+01  4.8789E+00  1.4304E+00
CT            3885   12.011000    0.145000
 -1.0996E+01  9.8393E+00  1.3894E+01
OH            3886   15.999000   -0.698000
 -1.2228E+01  9.3996E+00  1.4426E+01
HO            3887    1.008000    0.433000
 -1.2055E+01  9.0915E+00  1.5377E+01
HC            3888    1.008000    0.040000
 -1.1268E+01  1.0490E+01  1.3032E+01
HC            3889    1.008000    0.040000
 -1.0570E+01  9.0165E+00  1.3402E+01
HC            3890    1.008000    0.040000
 -1.0363E+01  1.0357E+01  1.4651E+01
CT            3891   12.011000    0.145000
 -1.5798E+01 -1.0363E+01 -6.2052E+00
OH            3892   15.999000   -0.698000
 -1.6494E+01 -9.5164E+00 -5.3073E+00
HO            3893    1.008000    0.433000
 -1.6987E+01 -8.8340E+00 -5.7829E+00
HC            3894    1.008000    0.040000
 -1.6447E+01 -1.1215E+01 -6.6562E+00
HC            3895    1.008000    0.040000
 -1.4815E+01 -1.0749E+01 -5.9564E+00
HC            3896    1.008000    0.040000
 -1.5573E+01 -9.6466E+00 -7.0120E+00
CT            3897   12.011000    0.145000
 -1.4363E+01  1.4450E+01 -8.2362E+00
OH            3898   15.999000   -0.698000
 -1.5777E+01  1.4740E+01 -8.1095E+00
HO            3899    1.008000    0.433000
 -1.6220E+01  1.3943E+01 -7.6984E+00
HC            3900    1.008000    0.040000
 -1.3919E+01  1.4452E+01 -7.2798E+00
HC            3901    1.008000    0.040000
 -1.3834E+01  1.5211E+01 -8.8444E+00
HC            3902    1.008000    0.040000
 -1.4187E+01  1.3516E+01 -8.7624E+00
CT            3903   12.011000    0.145000
 -2.5089E+00  1.2471E+01  6.2940E+00
OH            3904   15.999000   -0.698000
 -1.6524E+00  1.2547E+01  5.1305E+00
HO            3905    1.008000    0.433000
 -1.3925E+00  1.3483E+01  5.0040E+00
HC            3906    1.008000    0.040000
 -3.1971E+00  1.1648E+01  6.4089E+00
HC            3907    1.008000    0.040000
 -2.9273E+00  1.3479E+01  6.3309E+00
HC            3908    1.008000    0.040000
 -1.9869E+00  1.2412E+01  7.2051E+00
CT            3909   12.011000    0.145000
  9.9900E+00 -7.2360E+00  2.1587E+00
OH            3910   15.999000   -0.698000
  9.5649E+00 -7.6970E+00  9.2807E-01
HO            3911    1.008000    0.433000
  1.0071E+01 -8.5458E+00  8.5076E-01
HC            3912    1.008000    0.040000
  1.0326E+01 -8.0177E+00  2.8430E+00
HC            3913    1.008000    0.040000
  9.2289E+00 -6.6321E+00  2.6277E+00
HC            3914    1.008000    0.040000
  1.0918E+01 -6.6614E+00  2.0483E+00
CT            3915   12.011000    0.145000
 -4.4771E+00  1.4916E+01  4.0436E+00
OH            3916   15.999000   -0.698000
 -5.7332E+00  1.4507E+01  3.5513E+00
HO            3917    1.008000    0.433000
 -5.6056E+00  1.4280E+01  2.5990E+00
HC            3918    1.008000    0.040000
 -4.4359E+00  1.5174E+01  5.1052E+00
HC            3919    1.008000    0.040000
 -4.3848E+00  1.5952E+01  3.7066E+00
HC            3920    1.008000    0.040000
 -3.5991E+00  1.4416E+01  3.6568E+00
CT            3921   12.011000    0.145000
 -9.5294E+00  5.5664E+00  8.9348E+00
OH            3922   15.999000   -0.698000
 -9.4104E+00  4.2153E+00  9.2793E+00
HO            3923    1.008000    0.433000
 -1.0230E+01  3.9957E+00  9.5510E+00
HC            3924    1.008000    0.040000
 -9.2076E+00  5.7116E+00  7.8973E+00
HC            3925    1.008000    0.040000
 -8.8070E+00  6.1137E+00  9.5442E+00
HC            3926    1.008000    0.040000
 -1.0591E+01  5.9308E+00  8.9726E+00
CT            3927   12.011000    0.145000
 -1.7378E+01 -1.1964E+01 -1.0268E+01
OH            3928   15.999000   -0.698000
 -1.5955E+01 -1.1878E+01 -1.0038E+01
HO            3929    1.008000    0.433000
 -1.5577E+01 -1.1081E+01 -1.0427E+01
HC            3930    1.008000    0.040000
 -1.7832E+01 -1.2861E+01 -9.9787E+00
HC            3931    1.008000    0.040000
 -1.7697E+01 -1.1729E+01 -1.1236E+01
HC            3932    1.008000    0.040000
 -1.7797E+01 -1.1168E+01 -9.6075E+00
CT            3933   12.011000    0.145000
  1.2944E+01  6.3886E+00  9.9917E+00
OH            3934   15.999000   -0.698000
  1.3576E+01  5.9549E+00  8.8619E+00
HO            3935    1.008000    0.433000
  1.3118E+01  5.1165E+00  8.6348E+00
HC            3936    1.008000    0.040000
  1.1841E+01  6.2001E+00  1.0050E+01
HC            3937    1.008000    0.040000
  1.3013E+01  7.4626E+00  1.0123E+01
HC            3938    1.008000    0.040000
  1.3422E+01  5.8711E+00  1.0848E+01
CT            3939   12.011000    0.145000
 -1.0138E+01 -2.7725E+00  1.4571E+01
OH            3940   15.999000   -0.698000
 -1.1137E+01 -1.9877E+00  1.3966E+01
HO            3941    1.008000    0.433000
 -1.0653E+01 -1.5951E+00  1.3224E+01
HC            3942    1.008000    0.040000
 -9.7120E+00 -3.4639E+00  1.3874E+01
HC            3943    1.008000    0.040000
 -1.0581E+01 -3.2946E+00  1.5413E+01
HC            3944    1.008000    0.040000
 -9.3969E+00 -2.0786E+00  1.4988E+01
CT            3945   12.011000    0.145000
  5.3751E-01  6.7287E+00 -1.6104E+01
OH            3946   15.999000   -0.698000
  1.4904E+00  5.6978E+00 -1.5756E+01
HO            3947    1.008000    0.433000
  1.0325E+00  5.0805E+00 -1.5179E+01
HC            3948    1.008000    0.040000
  5.0418E-01  7.5080E+00 -1.5334E+01
HC            3949    1.008000    0.040000
 -4.8501E-01  6.2653E+00 -1.6187E+01
HC            3950    1.008000    0.040000
  8.6518E-01  7.1143E+00 -1.7080E+01
CT            3951   12.011000    0.145000
  1.6426E+01  8.0972E+00 -7.3971E+00
OH            3952   15.999000   -0.698000
  1.7136E+01  9.2857E+00 -7.0113E+00
HO            3953    1.008000    0.433000
  1.7379E+01  9.1501E+00 -6.0993E+00
HC            3954    1.008000    0.040000
  1.5618E+01  8.1277E+00 -6.6379E+00
HC            3955    1.008000    0.040000
  1.6914E+01  7.1405E+00 -7.2617E+00
HC            3956    1.008000    0.040000
  1.6007E+01  8.1811E+00 -8.3711E+00
CT            3957   12.011000    0.145000
 -1.4920E+01 -1.3361E+01 -1.2102E+00
OH            3958   15.999000   -0.698000
 -1.6106E+01 -1.2643E+01 -1.2111E+00
HO            3959    1.008000    0.433000
 -1.6335E+01 -1.2407E+01 -2.1492E+00
HC            3960    1.008000    0.040000
 -1.4703E+01 -1.3540E+01 -1.2078E-01
HC            3961    1.008000    0.040000
 -1.4082E+01 -1.2724E+01 -1.6374E+00
HC            3962    1.008000    0.040000
 -1.4980E+01 -1.4204E+01 -1.7888E+00
CT            3963   12.011000    0.145000
  2.2042E+00 -1.6119E+01  3.2777E+00
OH            3964   15.999000   -0.698000
  1.7748E+00 -1.4843E+01  2.9949E+00
HO            3965    1.008000    0.433000
  2.6201E+00 -1.4500E+01  2.5423E+00
HC            3966    1.008000    0.040000
  3.3089E+00 -1.6287E+01  3.1957E+00
HC            3967    1.008000    0.040000
  1.8831E+00 -1.6761E+01  2.4247E+00
HC            3968    1.008000    0.040000
  1.8124E+00 -1.6540E+01  4.2238E+00
CT            3969   12.011000    0.145000
  3.7989E+00  8.3870E+00 -1.5648E+01
OH            3970   15.999000   -0.698000
  3.7788E+00  7.1435E+00 -1.6339E+01
HO            3971    1.008000    0.433000
  3.0207E+00  6.6929E+00 -1.6027E+01
HC            3972    1.008000    0.040000
  2.7805E+00  8.7968E+00 -1.5681E+01
HC            3973    1.008000    0.040000
  4.5460E+00  8.9906E+00 -1.6069E+01
HC            3974    1.008000    0.040000
  4.1307E+00  8.3343E+00 -1.4575E+01
CT            3975   12.011000    0.145000
  2.7731E+00  1.2928E+01 -2.5238E+00
OH            3976   15.999000   -0.698000
  3.4843E+00  1.2430E+01 -3.6494E+00
HO            3977    1.008000    0.433000
  3.4955E+00  1.3140E+01 -4.3546E+00
HC            3978    1.008000    0.040000
  1.6353E+00  1.3078E+01 -2.6982E+00
HC            3979    1.008000    0.040000
  3.1708E+00  1.3868E+01 -2.1351E+00
HC            3980    1.008000    0.040000
  2.7539E+00  1.2143E+01 -1.7892E+00
CT            3981   12.011000    0.145000
 -1.4918E+01  1.3761E+01  8.5969E+00
OH            3982   15.999000   -0.698000
 -1.5142E+01  1.2727E+01  9.5865E+00
HO            3983    1.008000    0.433000
 -1.4996E+01  1.1869E+01  9.1141E+00
HC            3984    1.008000    0.040000
 -1.5549E+01  1.3611E+01  7.6472E+00
HC            3985    1.008000    0.040000
 -1.3846E+01  1.3995E+01  8.4389E+00
HC            3986    1.008000    0.040000
 -1.5239E+01  1.4660E+01  9.1120E+00
CT            3987   12.011000    0.145000
  2.2769E+00  1.7335E+01 -4.1114E+00
OH            3988   15.999000   -0.698000
  2.5653E+00  1.7907E+01 -2.7753E+00
HO            3989    1.008000    0.433000
  1.6914E+00  1.7777E+01 -2.3991E+00
HC            3990    1.008000    0.040000
  1.9019E+00  1.6290E+01 -3.9230E+00
HC            3991    1.008000    0.040000
  3.2373E+00  1.7130E+01 -4.5966E+00
HC            3992    1.008000    0.040000
  1.6505E+00  1.8000E+01 -4.7183E+00
CT            3993   12.011000    0.145000
  4.5637E+00 -1.5313E+01 -1.2068E+01
OH            3994   15.999000   -0.698000
  5.7710E+00 -1.5536E+01 -1.1415E+01
HO            3995    1.008000    0.433000
  6.1357E+00 -1.6243E+01 -1.1963E+01
HC            3996    1.008000    0.040000
  4.1086E+00 -1.4671E+01 -1.1338E+01
HC            3997    1.008000    0.040000
  4.0480E+00 -1.6272E+01 -1.2166E+01
HC            3998    1.008000    0.040000
  4.6333E+00 -1.4699E+01 -1.2987E+01
CT            3999   12.011000    0.145000
  6.3155E+00  1.0160E+01 -1.2022E+01
OH            4000   15.999000   -0.698000
  5.7092E+00  9.2625E+00 -1.1137E+01
HO            4001    1.008000    0.433000
  6.2864E+00  8.4739E+00 -1.1043E+01
HC            4002    1.008000    0.040000
  5.5077E+00  1.0821E+01 -1.2347E+01
HC            4003    1.008000    0.040000
  6.7508E+00  9.6204E+00 -1.2867E+01
HC            4004    1.008000    0.040000
  7.2186E+00  1.0654E+01 -1.1526E+01
CT            4005   12.011000    0.145000
  5.5742E+00  3.8901E+00 -7.7821E-01
OH            4006   15.999000   -0.698000
  5.2773E+00  4.2761E+00  5.3628E-01
HO            4007    1.008000    0.433000
  4.4200E+00  3.9019E+00  7.1508E-01
HC            4008    1.008000    0.040000
  6.2178E+00  2.9832E+00 -7.9871E-01
HC            4009    1.008000    0.040000
  6.2483E+00  4.6168E+00 -1.2862E+00
HC            4010    1.008000    0.040000
  4.6624E+00  3.5769E+00 -1.2659E+00
CT            4011   12.011000    0.145000
 -5.0334E+00  1.9781E+00  6.0299E+00
OH            4012   15.999000   -0.698000
 -5.3150E+00  1.3257E+00  4.8174E+00
HO            4013    1.008000    0.433000
 -4.8257E+00  1.8414E+00  4.2134E+00
HC            4014    1.008000    0.040000
 -3.9087E+00  2.0311E+00  6.1708E+00
HC            4015    1.008000    0.040000
 -5.2702E+00  1.3953E+00  6.8776E+00
HC            4016    1.008000    0.040000
 -5.5870E+00  2.9383E+00  6.0880E+00
CT            4017   12.011000    0.145000
 -1.7740E+01  9.1619E+00  7.4755E+00
OH            4018   15.999000   -0.698000
  1.7184E+01  9.1043E+00  6.9127E+00
HO            4019    1.008000    0.433000
  1.6851E+01  8.2894E+00  7.1966E+00
HC            4020    1.008000    0.040000
 -1.7421E+01  8.1335E+00  7.3798E+00
HC            4021    1.008000    0.040000
 -1.7865E+01  9.4925E+00  8.5070E+00
HC            4022    1.008000    0.040000
 -1.6979E+01  9.7066E+00  6.9166E+00
CT            4023   12.011000    0.145000
 -1.2646E+01 -6.5014E+00  1.4273E+01
OH            4024   15.999000   -0.698000
 -1.2030E+01 -7.5471E+00  1.3429E+01
HO            4025    1.008000    0.433000
 -1.1325E+01 -7.7836E+00  1.4011E+01
HC            4026    1.008000    0.040000
 -1.2843E+01 -6.9213E+00  1.5267E+01
HC            4027    1.008000    0.040000
 -1.3672E+01 -6.3247E+00  1.3842E+01
HC            4028    1.008000    0.040000
 -1.2042E+01 -5.5766E+00  1.4420E+01
CT            4029   12.011000    0.145000
  9.5633E+00  9.9404E+00 -5.4876E-01
OH            4030   15.999000   -0.698000
  9.4939E+00  1.0364E+01  7.5339E-01
HO            4031    1.008000    0.433000
  1.0040E+01  1.1122E+01  8.7422E-01
HC            4032    1.008000    0.040000
  9.1377E+00  1.0667E+01 -1.2895E+00
HC            4033    1.008000    0.040000
  9.1203E+00  8.9616E+00 -6.7445E-01
HC            4034    1.008000    0.040000
  1.0653E+01  9.8890E+00 -6.3890E-01
CT            4035   12.011000    0.145000
 -3.5785E+00  1.3800E+01  1.6965E+01
OH            4036   15.999000   -0.698000
 -3.5938E+00  1.5123E+01  1.6551E+01
HO            4037    1.008000    0.433000
 -4.1358E+00  1.5283E+01  1.5752E+01
HC            4038    1.008000    0.040000
 -4.7005E+00  1.3602E+01  1.7189E+01
HC            4039    1.008000    0.040000
 -3.1630E+00  1.3539E+01  1.7972E+01
HC            4040    1.008000    0.040000
 -3.3500E+00  1.3075E+01  1.6165E+01
CT            4041   12.011000    0.145000
  1.2277E+01 -1.1241E+01 -1.5022E+01
OH            4042   15.999000   -0.698000
  1.3398E+01 -1.0443E+01 -1.4983E+01
HO            4043    1.008000    0.433000
  1.3240E+01 -9.6886E+00 -1.5551E+01
HC            4044    1.008000    0.040000
  1.2310E+01 -1.2007E+01 -1.4254E+01
HC            4045    1.008000    0.040000
  1.2278E+01 -1.1669E+01 -1.6033E+01
HC            4046    1.008000    0.040000
  1.1324E+01 -1.0756E+01 -1.4894E+01
CT            4047   12.011000    0.145000
  1.7011E+01 -1.6004E+01 -9.3468E+00
OH            4048   15.999000   -0.698000
  1.6109E+01 -1.6928E+01 -8.7502E+00
HO            4049    1.008000    0.433000
  1.6530E+01 -1.7393E+01 -8.0595E+00
HC            4050    1.008000    0.040000
  1.7286E+01 -1.5310E+01 -8.6578E+00
HC            4051    1.008000    0.040000
  1.6554E+01 -1.5430E+01 -1.0136E+01
HC            4052    1.008000    0.040000
  1.7804E+01 -1.6646E+01 -9.8060E+00
CT            4053   12.011000    0.145000
 -1.1390E+01 -1.7582E+01 -1.2444E+01
OH            4054   15.999000   -0.698000
 -1.2338E+01 -1.7341E+01 -1.1441E+01
HO            4055    1.008000    0.433000
 -1.2883E+01  1.8107E+01 -1.1498E+01
HC            4056    1.008000    0.040000
 -1.0580E+01  1.7938E+01 -1.2103E+01
HC            4057    1.008000    0.040000
 -1.0966E+01 -1.6746E+01 -1.2959E+01
HC            4058    1.008000    0.040000
 -1.1875E+01 -1.8113E+01 -1.3231E+01
CT            4059   12.011000    0.145000
  6.2764E+00 -8.0501E+00 -4.5445E+00
OH            4060   15.999000   -0.698000
  7.2908E+00 -7.6320E+00 -3.6543E+00
HO            4061    1.008000    0.433000
  8.0215E+00 -8.2048E+00 -3.7331E+00
HC            4062    1.008000    0.040000
  6.2091E+00 -7.3766E+00 -5.3655E+00
HC            4063    1.008000    0.040000
  5.3377E+00 -7.9385E+00 -3.9179E+00
HC            4064    1.008000    0.040000
  6.3294E+00 -9.0978E+00 -4.7706E+00
CT            4065   12.011000    0.145000
 -1.3886E+01  1.0840E+01 -6.1610E+00
OH            4066   15.999000   -0.698000
 -1.5237E+01  1.0737E+01 -5.7957E+00
HO            4067    1.008000    0.433000
 -1.5827E+01  1.1458E+01 -6.0636E+00
HC            4068    1.008000    0.040000
 -1.3467E+01  1.1720E+01 -5.7272E+00
HC            4069    1.008000    0.040000
 -1.3717E+01  1.0877E+01 -7.2298E+00
HC            4070    1.008000    0.040000
 -1.3471E+01  9.9368E+00 -5.7500E+00
CT            4071   12.011000    0.145000
  1.4865E+01  6.6172E+00  1.5933E+01
OH            4072   15.999000   -0.698000
  1.5127E+01  6.2363E+00  1.7216E+01
HO            4073    1.008000    0.433000
  1.4373E+01  6.0497E+00  1.7766E+01
HC            4074    1.008000    0.040000
  1.4655E+01  5.7237E+00  1.5331E+01
HC            4075    1.008000    0.040000
  1.5635E+01  7.3606E+00  1.5530E+01
HC            4076    1.008000    0.040000
  1.3911E+01  7.0757E+00  1.6010E+01
CT            4077   12.011000    0.145000
  1.0396E+00 -7.2137E+00  4.3325E+00
OH            4078   15.999000   -0.698000
  1.0535E+00 -5.8240E+00  4.1987E+00
HO            4079    1.008000    0.433000
  1.7397E+00 -5.5685E+00  3.5883E+00
HC            4080    1.008000    0.040000
  1.9929E+00 -7.5602E+00  4.6978E+00
HC            4081    1.008000    0.040000
  9.0478E-01 -7.6193E+00  3.3588E+00
HC            4082    1.008000    0.040000
  3.8811E-01 -7.5622E+00  5.0619E+00
CT            4083   12.011000    0.145000
 -6.0651E+00 -4.0651E-01 -1.2505E+01
OH            4084   15.999000   -0.698000
 -4.6717E+00 -2.7728E-01 -1.2778E+01
HO            4085    1.008000    0.433000
 -4.1141E+00 -7.9485E-01 -1.2203E+01
HC            4086    1.008000    0.040000
 -6.6246E+00  2.1479E-01 -1.3306E+01
HC            4087    1.008000    0.040000
 -6.1396E+00  6.4356E-02 -1.1568E+01
HC            4088    1.008000    0.040000
 -6.2322E+00 -1.4885E+00 -1.2414E+01
CT            4089   12.011000    0.145000
 -8.6839E+00  1.0145E-01  3.8031E+00
OH            4090   15.999000   -0.698000
 -8.0236E+00  4.6370E-01  2.6158E+00
HO            4091    1.008000    0.433000
 -8.6332E+00  1.1064E+00  2.2240E+00
HC            4092    1.008000    0.040000
 -7.9212E+00 -2.3417E-01  4.4706E+00
HC            4093    1.008000    0.040000
 -9.1987E+00 -7.6685E-01  3.7235E+00
HC            4094    1.008000    0.040000
 -9.2812E+00  8.8565E-01  4.1889E+00
CT            4095   12.011000    0.145000
 -2.4883E+00 -1.7444E+01  1.1491E+01
OH            4096   15.999000   -0.698000
 -3.2233E+00 -1.6720E+01  1.0524E+01
HO            4097    1.008000    0.433000
 -3.4643E+00 -1.7250E+01  9.7342E+00
HC            4098    1.008000    0.040000
 -1.6692E+00 -1.7802E+01  1.0903E+01
HC            4099    1.008000    0.040000
 -3.0801E+00  1.7938E+01  1.1923E+01
HC            4100    1.008000    0.040000
 -2.0946E+00 -1.6826E+01  1.2275E+01
CT            4101   12.011000    0.145000
 -3.7474E+00  1.4485E+01 -9.2457E+00
OH            4102   15.999000   -0.698000
 -4.3609E+00  1.3198E+01 -8.9730E+00
HO            4103    1.008000    0.433000
 -3.9647E+00  1.2496E+01 -9.5001E+00
HC            4104    1.008000    0.040000
 -4.1955E+00  1.4797E+01 -1.0224E+01
HC            4105    1.008000    0.040000
 -2.6552E+00  1.4358E+01 -9.3996E+00
HC            4106    1.008000    0.040000
 -4.0149E+00  1.5270E+01 -8.6010E+00
CT            4107   12.011000    0.145000
  1.5425E+01 -1.5851E+01  1.2779E+01
OH            4108   15.999000   -0.698000
  1.5158E+01 -1.6925E+01  1.3650E+01
HO            4109    1.008000    0.433000
  1.5230E+01 -1.6704E+01  1.4598E+01
HC            4110    1.008000    0.040000
  1.4586E+01 -1.5884E+01  1.2063E+01
HC            4111    1.008000    0.040000
  1.6391E+01 -1.6085E+01  1.2309E+01
HC            4112    1.008000    0.040000
  1.5510E+01 -1.4930E+01  1.3289E+01
CT            4113   12.011000    0.145000
  1.0454E+00 -3.6836E+00 -1.2166E+01
OH            4114   15.999000   -0.698000
  1.8753E+00 -4.3088E+00 -1.3171E+01
HO            4115    1.008000    0.433000
  1.2781E+00 -4.7477E+00 -1.3767E+01
HC            4116    1.008000    0.040000
  1.7162E+00 -3.1745E+00 -1.1487E+01
HC            4117    1.008000    0.040000
  3.7995E-01 -4.3616E+00 -1.1633E+01
HC            4118    1.008000    0.040000
  3.9842E-01 -2.8703E+00 -1.2514E+01
CT            4119   12.011000    0.145000
 -5.6221E+00  4.1929E+00  1.6394E+01
OH            4120   15.999000   -0.698000
 -4.4889E+00  3.8758E+00  1.7137E+01
HO            4121    1.008000    0.433000
 -4.2306E+00  3.0546E+00  1.6819E+01
HC            4122    1.008000    0.040000
 -6.4296E+00  3.5333E+00  1.6610E+01
HC            4123    1.008000    0.040000
 -5.3697E+00  4.2862E+00  1.5271E+01
HC            4124    1.008000    0.040000
 -5.9011E+00  5.2260E+00  1.6720E+01
CT            4125   12.011000    0.145000
  1.2374E+01 -1.5341E+01 -1.6021E+01
OH            4126   15.999000   -0.698000
  1.2994E+01 -1.6358E+01 -1.5194E+01
HO            4127    1.008000    0.433000
  1.3857E+01 -1.6691E+01 -1.5564E+01
HC            4128    1.008000    0.040000
  1.1985E+01 -1.5638E+01 -1.6953E+01
HC            4129    1.008000    0.040000
  1.3056E+01 -1.4525E+01 -1.6178E+01
HC            4130    1.008000    0.040000
  1.1583E+01 -1.4832E+01 -1.5425E+01
CT            4131   12.011000    0.145000
 -5.6295E+00  8.4929E+00 -2.7885E+00
OH            4132   15.999000   -0.698000
 -5.4251E+00  9.0748E+00 -4.0202E+00
HO            4133    1.008000    0.433000
 -5.5580E+00  8.3992E+00 -4.7359E+00
HC            4134    1.008000    0.040000
 -5.0478E+00  7.5853E+00 -2.8329E+00
HC            4135    1.008000    0.040000
 -6.6884E+00  8.2748E+00 -2.6528E+00
HC            4136    1.008000    0.040000
 -5.4033E+00  9.0793E+00 -1.9168E+00
CT            4137   12.011000    0.145000
  1.1669E+01  1.3888E+01  1.4961E+01
OH            4138   15.999000   -0.698000
  1.1629E+01  1.3722E+01  1.3498E+01
HO            4139    1.008000    0.433000
  1.2499E+01  1.3471E+01  1.3197E+01
HC            4140    1.008000    0.040000
  1.2232E+01  1.4779E+01  1.5099E+01
HC            4141    1.008000    0.040000
  1.2203E+01  1.3159E+01  1.5563E+01
HC            4142    1.008000    0.040000
  1.0678E+01  1.4005E+01  1.5389E+01
CT            4143   12.011000    0.145000
 -1.5492E+01  1.2115E+01 -1.3806E+01
OH            4144   15.999000   -0.698000
 -1.5956E+01  1.2994E+01 -1.2837E+01
HO            4145    1.008000    0.433000
 -1.5861E+01  1.2632E+01 -1.1967E+01
HC            4146    1.008000    0.040000
 -1.5754E+01  1.1108E+01 -1.3495E+01
HC            4147    1.008000    0.040000
 -1.4433E+01  1.2282E+01 -1.3876E+01
HC            4148    1.008000    0.040000
 -1.5968E+01  1.2207E+01 -1.4841E+01
CT            4149   12.011000    0.145000
  6.5488E-01  9.9148E+00  9.0752E+00
OH            4150   15.999000   -0.698000
  1.8351E+00  1.0384E+01  9.6357E+00
HO            4151    1.008000    0.433000
  2.2385E+00  9.6730E+00  1.0097E+01
HC            4152    1.008000    0.040000
 -6.5415E-02  9.7073E+00  9.8037E+00
HC            4153    1.008000    0.040000
  7.1122E-01  9.0047E+00  8.4503E+00
HC            4154    1.008000    0.040000
  1.6731E-01  1.0494E+01  8.4135E+00
CT            4155   12.011000    0.145000
  7.2871E+00  4.1844E+00  1.5671E+01
OH            4156   15.999000   -0.698000
  8.5074E+00  4.4007E+00  1.6301E+01
HO            4157    1.008000    0.433000
  8.7907E+00  5.1859E+00  1.5757E+01
HC            4158    1.008000    0.040000
  6.6487E+00  3.5956E+00  1.6336E+01
HC            4159    1.008000    0.040000
  7.4527E+00  3.6209E+00  1.4724E+01
HC            4160    1.008000    0.040000
  6.7794E+00  5.1340E+00  1.5304E+01
CT            4161   12.011000    0.145000
  8.3703E+00  1.1772E+01  3.9058E+00
OH            4162   15.999000   -0.698000
  7.5516E+00  1.1734E+01  2.8008E+00
HO            4163    1.008000    0.433000
  7.9943E+00  1.1323E+01  2.0968E+00
HC            4164    1.008000    0.040000
  9.1843E+00  1.2431E+01  3.6369E+00
HC            4165    1.008000    0.040000
  8.7784E+00  1.0776E+01  4.0341E+00
HC            4166    1.008000    0.040000
  7.8244E+00  1.2208E+01  4.7094E+00
CT            4167   12.011000    0.145000
  1.2046E+01  9.7102E-01 -2.9194E+00
OH            4168   15.999000   -0.698000
  1.0882E+01  1.4164E-01 -2.5958E+00
HO            4169    1.008000    0.433000
  1.0510E+01 -1.2101E-01 -3.4246E+00
HC            4170    1.008000    0.040000
  1.1905E+01  1.5267E+00 -3.8657E+00
HC            4171    1.008000    0.040000
  1.2885E+01  2.7437E-01 -3.1755E+00
HC            4172    1.008000    0.040000
  1.2420E+01  1.7928E+00 -2.2051E+00
CT            4173   12.011000    0.145000
 -3.2331E+00  1.1214E+01  2.3591E+00
OH            4174   15.999000   -0.698000
 -4.5879E+00  1.1513E+01  2.0626E+00
HO            4175    1.008000    0.433000
 -5.1215E+00  1.1247E+01  2.8337E+00
HC            4176    1.008000    0.040000
 -2.8968E+00  1.0373E+01  1.7604E+00
HC            4177    1.008000    0.040000
 -3.2068E+00  1.0949E+01  3.4287E+00
HC            4178    1.008000    0.040000
 -2.5660E+00  1.2133E+01  2.2758E+00
CT            4179   12.011000    0.145000
 -4.5766E+00  6.4147E+00 -9.8883E+00
OH            4180   15.999000   -0.698000
 -4.9704E+00  5.3534E+00 -9.1174E+00
HO            4181    1.008000    0.433000
 -4.1329E+00  4.9351E+00 -8.9222E+00
HC            4182    1.008000    0.040000
 -4.4390E+00  7.3073E+00 -9.2223E+00
HC            4183    1.008000    0.040000
 -5.3498E+00  6.6570E+00 -1.0650E+01
HC            4184    1.008000    0.040000
 -3.6057E+00  6.1382E+00 -1.0315E+01
CT            4185   12.011000    0.145000
  5.8608E+00 -4.9871E+00  1.3379E+01
OH            4186   15.999000   -0.698000
  5.2993E+00 -4.3253E+00  1.2268E+01
HO            4187    1.008000    0.433000
  5.0714E+00 -5.0000E+00  1.1587E+01
HC            4188    1.008000    0.040000
  6.3024E+00 -5.9075E+00  1.3009E+01
HC            4189    1.008000    0.040000
  5.0643E+00 -5.2700E+00  1.4156E+01
HC            4190    1.008000    0.040000
  6.5875E+00 -4.3910E+00  1.3881E+01
CT            4191   12.011000    0.145000
 -1.0383E+01 -7.8899E-02 -1.2479E+01
OH            4192   15.999000   -0.698000
 -1.0666E+01  5.3162E-01 -1.3632E+01
HO            4193    1.008000    0.433000
 -1.0850E+01 -1.5061E-01 -1.4270E+01
HC            4194    1.008000    0.040000
 -9.3682E+00 -4.3381E-01 -1.2492E+01
HC            4195    1.008000    0.040000
 -1.1088E+01 -8.9762E-01 -1.2370E+01
HC            4196    1.008000    0.040000
 -1.0593E+01  7.0422E-01 -1.1700E+01
CT            4197   12.011000    0.145000
 -3.6586E+00  2.9036E+00 -1.5824E+01
OH            4198   15.999000   -0.698000
 -3.0428E+00  3.4341E+00 -1.4740E+01
HO            4199    1.008000    0.433000
 -3.4805E+00  3.1290E+00 -1.3969E+01
HC            4200    1.008000    0.040000
 -4.6704E+00  3.2775E+00 -1.5981E+01
HC            4201    1.008000    0.040000
 -3.7135E+00  1.8146E+00 -1.5733E+01
HC            4202    1.008000    0.040000
 -3.0130E+00  3.1697E+00 -1.6691E+01
CT            4203   12.011000    0.145000
  5.7970E+00  1.1848E+01 -1.6038E+01
OH            4204   15.999000   -0.698000
  7.1533E+00  1.1849E+01 -1.5631E+01
HO            4205    1.008000    0.433000
  7.5415E+00  1.0988E+01 -1.5790E+01
HC            4206    1.008000    0.040000
  5.4632E+00  1.2863E+01 -1.6092E+01
HC            4207    1.008000    0.040000
  5.1777E+00  1.1217E+01 -1.5358E+01
HC            4208    1.008000    0.040000
  5.8436E+00  1.1266E+01 -1.7016E+01
CT            4209   12.011000    0.145000
  7.7171E+00 -3.0899E+00 -1.5447E+01
OH            4210   15.999000   -0.698000
  7.8913E+00 -3.2334E+00 -1.4077E+01
HO            4211    1.008000    0.433000
  7.0086E+00 -2.9966E+00 -1.3700E+01
HC            4212    1.008000    0.040000
  7.6020E+00 -2.1391E+00 -1.5892E+01
HC            4213    1.008000    0.040000
  6.7316E+00 -3.6272E+00 -1.5717E+01
HC            4214    1.008000    0.040000
  8.6721E+00 -3.5297E+00 -1.5806E+01
CT            4215   12.011000    0.145000
  1.2765E+01 -4.5482E+00  4.5482E-01
OH            4216   15.999000   -0.698000
  1.3061E+01 -3.8863E+00 -7.8200E-01
HO            4217    1.008000    0.433000
  1.2748E+01 -2.9440E+00 -8.2149E-01
HC            4218    1.008000    0.040000
  1.2048E+01 -3.8980E+00  1.0531E+00
HC            4219    1.008000    0.040000
  1.3644E+01 -4.7842E+00  1.0886E+00
HC            4220    1.008000    0.040000
  1.2314E+01 -5.5265E+00  2.8255E-01
CT            4221   12.011000    0.145000
 -9.9010E+00 -7.5468E+00 -1.4745E+01
OH            4222   15.999000   -0.698000
 -9.2075E+00 -8.7305E+00 -1.5137E+01
HO            4223    1.008000    0.433000
 -8.4691E+00 -8.7404E+00 -1.4577E+01
HC            4224    1.008000    0.040000
 -1.0747E+01 -7.4758E+00 -1.5349E+01
HC            4225    1.008000    0.040000
 -9.2600E+00 -6.6703E+00 -1.4915E+01
HC            4226    1.008000    0.040000
 -1.0282E+01 -7.5150E+00 -1.3700E+01
CT            4227   12.011000    0.145000
  1.1688E+01 -7.7396E+00 -1.9587E+00
OH            4228   15.999000   -0.698000
  1.1846E+01 -8.9157E+00 -2.7568E+00
HO            4229    1.008000    0.433000
  1.1087E+01 -9.0680E+00 -3.3347E+00
HC            4230    1.008000    0.040000
  1.2639E+01 -7.4630E+00 -1.4647E+00
HC            4231    1.008000    0.040000
  1.1001E+01 -7.8046E+00 -1.1736E+00
HC            4232    1.008000    0.040000
  1.1312E+01 -6.8972E+00 -2.4907E+00
CT            4233   12.011000    0.145000
  7.6221E+00  8.6463E+00  1.6852E+01
OH            4234   15.999000   -0.698000
  6.7270E+00  8.1876E+00  1.5880E+01
HO            4235    1.008000    0.433000
  7.2412E+00  8.0557E+00  1.5052E+01
HC            4236    1.008000    0.040000
  8.2493E+00  7.8464E+00  1.7284E+01
HC            4237    1.008000    0.040000
  7.0979E+00  8.9587E+00  1.7748E+01
HC            4238    1.008000    0.040000
  8.2046E+00  9.3586E+00  1.6405E+01
CT            4239   12.011000    0.145000
  5.1575E+00  1.2406E+01  7.9897E-01
OH            4240   15.999000   -0.698000
  5.2512E+00  1.2908E+01  2.0393E+00
HO            4241    1.008000    0.433000
  6.0439E+00  1.2582E+01  2.4642E+00
HC            4242    1.008000    0.040000
  5.5985E+00  1.1396E+01  6.8174E-01
HC            4243    1.008000    0.040000
  5.3521E+00  1.3119E+01 -7.4941E-03
HC            4244    1.008000    0.040000
  4.0656E+00  1.2343E+01  6.8575E-01
CT            4245   12.011000    0.145000
 -5.0926E+00  6.7304E-01  1.5431E+01
OH            4246   15.999000   -0.698000
 -4.8322E+00  1.2044E+00  1.6725E+01
HO            4247    1.008000    0.433000
 -4.3005E+00  5.6501E-01  1.7169E+01
HC            4248    1.008000    0.040000
 -4.2269E+00  9.9165E-01  1.4877E+01
HC            4249    1.008000    0.040000
 -5.8869E+00  1.2237E+00  1.4899E+01
HC            4250    1.008000    0.040000
 -5.1610E+00 -4.7498E-01  1.5329E+01
CT            4251   12.011000    0.145000
 -4.2777E+00 -1.7815E+01 -7.4103E+00
OH            4252   15.999000   -0.698000
 -5.4734E+00 -1.7743E+01 -6.5888E+00
HO            4253    1.008000    0.433000
 -5.1861E+00 -1.7483E+01 -5.7617E+00
HC            4254    1.008000    0.040000
 -4.3834E+00 -1.7286E+01 -8.3690E+00
HC            4255    1.008000    0.040000
 -4.0288E+00  1.7403E+01 -7.5519E+00
HC            4256    1.008000    0.040000
 -3.4901E+00 -1.7337E+01 -6.7100E+00
CT            4257   12.011000    0.145000
 -9.5687E+00  1.3230E+00 -1.4026E+00
OH            4258   15.999000   -0.698000
 -8.4434E+00  1.2547E+00 -2.2339E+00
HO            4259    1.008000    0.433000
 -8.1729E+00  3.4438E-01 -2.2639E+00
HC            4260    1.008000    0.040000
 -9.3114E+00  1.2285E+00 -3.5488E-01
HC            4261    1.008000    0.040000
 -1.0217E+01  4.7091E-01 -1.7556E+00
HC            4262    1.008000    0.040000
 -1.0235E+01  2.1786E+00 -1.5685E+00
CT            4263   12.011000    0.145000
 -6.1519E+00  6.5824E+00 -1.3523E+01
OH            4264   15.999000   -0.698000
 -5.7037E+00  7.3653E+00 -1.4680E+01
HO            4265    1.008000    0.433000
 -4.8361E+00  6.9287E+00 -1.4954E+01
HC            4266    1.008000    0.040000
 -5.3445E+00  6.5110E+00 -1.2806E+01
HC            4267    1.008000    0.040000
 -6.4918E+00  5.5386E+00 -1.3765E+01
HC            4268    1.008000    0.040000
 -7.0019E+00  7.1144E+00 -1.3026E+01
CT            4269   12.011000    0.145000
  2.5892E+00  4.4103E+00  1.7109E+01
OH            4270   15.999000   -0.698000
  3.8518E+00  4.5428E+00  1.6524E+01
HO            4271    1.008000    0.433000
  4.2101E+00  5.3851E+00  1.6819E+01
HC            4272    1.008000    0.040000
  2.0991E+00  3.5256E+00  1.6747E+01
HC            4273    1.008000    0.040000
  1.9521E+00  5.2457E+00  1.7025E+01
HC            4274    1.008000    0.040000
  2.7295E+00  4.3206E+00 -1.8074E+01
CT            4275   12.011000    0.145000
 -5.7793E+00 -3.7434E+00  1.4065E+01
OH            4276   15.999000   -0.698000
 -6.6751E+00 -4.6323E+00  1.3622E+01
HO            4277    1.008000    0.433000
 -7.0481E+00 -4.2393E+00  1.2861E+01
HC            4278    1.008000    0.040000
 -5.4631E+00 -4.0896E+00  1.5046E+01
HC            4279    1.008000    0.040000
 -6.1849E+00 -2.7379E+00  1.4207E+01
HC            4280    1.008000    0.040000
 -4.9795E+00 -3.6235E+00  1.3416E+01
CT            4281   12.011000    0.145000
 -1.2256E+01 -8.7218E+00 -7.1057E+00
OH            4282   15.999000   -0.698000
 -1.2593E+01 -9.8388E+00 -7.8712E+00
HO            4283    1.008000    0.433000
 -1.1917E+01 -1.0498E+01 -7.6151E+00
HC            4284    1.008000    0.040000
 -1.2796E+01 -7.9301E+00 -7.6088E+00
HC            4285    1.008000    0.040000
 -1.1195E+01 -8.5861E+00 -7.0181E+00
HC            4286    1.008000    0.040000
 -1.2606E+01 -8.8175E+00 -6.0461E+00
CT            4287   12.011000    0.145000
 -1.5683E-01 -4.1036E+00 -4.3298E+00
OH            4288   15.999000   -0.698000
 -3.1787E-01 -3.7002E+00 -3.0503E+00
HO            4289    1.008000    0.433000
 -2.9379E-01 -4.4785E+00 -2.4829E+00
HC            4290    1.008000    0.040000
  7.8578E-01 -4.5543E+00 -4.3890E+00
HC            4291    1.008000    0.040000
 -1.9722E-01 -3.3299E+00 -5.1036E+00
HC            4292    1.008000    0.040000
 -9.2458E-01 -4.7445E+00 -4.5568E+00
CT            4293   12.011000    0.145000
 -1.6447E+01  8.6530E-01 -8.4853E+00
OH            4294   15.999000   -0.698000
 -1.5783E+01  1.9348E+00 -7.7373E+00
HO            4295    1.008000    0.433000
 -1.5711E+01  1.6535E+00 -6.8336E+00
HC            4296    1.008000    0.040000
 -1.6375E+01 -6.9439E-02 -7.9561E+00
HC            4297    1.008000    0.040000
 -1.5839E+01  7.6645E-01 -9.3474E+00
HC            4298    1.008000    0.040000
 -1.7458E+01  1.0991E+00 -8.8905E+00
CT            4299   12.011000    0.145000
 -7.5551E+00  2.2425E+00 -1.6846E+01
OH            4300   15.999000   -0.698000
 -8.8305E+00  1.7354E+00 -1.6529E+01
HO            4301    1.008000    0.433000
 -9.1269E+00  2.2408E+00 -1.5781E+01
HC            4302    1.008000    0.040000
 -7.1775E+00  1.8107E+00 -1.7806E+01
HC            4303    1.008000    0.040000
 -6.8993E+00  1.8809E+00 -1.6071E+01
HC            4304    1.008000    0.040000
 -7.5003E+00  3.3644E+00 -1.6831E+01
CT            4305   12.011000    0.145000
 -1.3195E+01 -1.2889E+01  1.6820E+01
OH            4306   15.999000   -0.698000
 -1.2572E+01 -1.4034E+01  1.6338E+01
HO            4307    1.008000    0.433000
 -1.1955E+01 -1.4334E+01  1.7005E+01
HC            4308    1.008000    0.040000
 -1.3796E+01 -1.2419E+01  1.6054E+01
HC            4309    1.008000    0.040000
 -1.2518E+01 -1.2131E+01  1.7207E+01
HC            4310    1.008000    0.040000
 -1.3685E+01 -1.2983E+01  1.7751E+01
CT            4311   12.011000    0.145000
 -3.1628E+00 -3.3508E+00 -1.2700E+01
OH            4312   15.999000   -0.698000
 -2.9416E+00 -2.1995E+00 -1.1916E+01
HO            4313    1.008000    0.433000
 -2.6417E+00 -2.5020E+00 -1.0993E+01
HC            4314    1.008000    0.040000
 -2.1564E+00 -3.7357E+00 -1.2824E+01
HC            4315    1.008000    0.040000
 -3.5575E+00 -3.1468E+00 -1.3682E+01
HC            4316    1.008000    0.040000
 -3.8935E+00 -3.9785E+00 -1.2244E+01
CT            4317   12.011000    0.145000
 -6.5577E+00 -2.3027E+00  1.7711E+01
OH            4318   15.999000   -0.698000
 -7.6848E+00 -2.3282E+00  1.6840E+01
HO            4319    1.008000    0.433000
 -8.2487E+00 -1.5610E+00  1.7019E+01
HC            4320    1.008000    0.040000
 -6.9184E+00 -2.5433E+00 -1.7545E+01
HC            4321    1.008000    0.040000
 -6.1698E+00 -1.2802E+00  1.7653E+01
HC            4322    1.008000    0.040000
 -5.8349E+00 -3.0180E+00  1.7421E+01
CT            4323   12.011000    0.145000
 -4.3241E+00 -1.0318E+01  1.2666E+00
OH            4324   15.999000   -0.698000
 -5.5538E+00 -1.1002E+01  1.4369E+00
HO            4325    1.008000    0.433000
 -6.1357E+00 -1.0453E+01  1.9175E+00
HC            4326    1.008000    0.040000
 -3.6864E+00 -1.0972E+01  7.2295E-01
HC            4327    1.008000    0.040000
 -3.9041E+00 -9.9945E+00  2.2468E+00
HC            4328    1.008000    0.040000
 -4.4225E+00 -9.3984E+00  6.9540E-01
CT            4329   12.011000    0.145000
 -1.4768E+01 -3.6851E+00  2.2102E+00
OH            4330   15.999000   -0.698000
 -1.4698E+01 -5.1146E+00  2.2721E+00
HO            4331    1.008000    0.433000
 -1.4397E+01 -5.2608E+00  3.1685E+00
HC            4332    1.008000    0.040000
 -1.5301E+01 -3.4810E+00  1.3302E+00
HC            4333    1.008000    0.040000
 -1.3827E+01 -3.1470E+00  2.0155E+00
HC            4334    1.008000    0.040000
 -1.5147E+01 -3.1103E+00  3.0301E+00
CT            4335   12.011000    0.145000
  1.3815E+01  1.1569E+01  8.7699E+00
OH            4336   15.999000   -0.698000
  1.4208E+01  1.1305E+01  1.0111E+01
HO            4337    1.008000    0.433000
  1.4218E+01  1.2175E+01  1.0510E+01
HC            4338    1.008000    0.040000
  1.4613E+01  1.2114E+01  8.3223E+00
HC            4339    1.008000    0.040000
  1.2869E+01  1.2213E+01  8.8052E+00
HC            4340    1.008000    0.040000
  1.3714E+01  1.0633E+01  8.1481E+00
CT            4341   12.011000    0.145000
 -2.8129E+00  1.6099E+01  9.0432E+00
OH            4342   15.999000   -0.698000
 -3.0904E+00  1.7227E+01  8.2937E+00
HO            4343    1.008000    0.433000
 -2.6079E+00  1.7164E+01  7.4469E+00
HC            4344    1.008000    0.040000
 -1.7351E+00  1.5987E+01  9.1768E+00
HC            4345    1.008000    0.040000
 -3.2099E+00  1.5173E+01  8.6484E+00
HC            4346    1.008000    0.040000
 -3.2018E+00  1.6266E+01  1.0037E+01
CT            4347   12.011000    0.145000
  8.7245E-02  1.0254E+00  2.7994E+00
OH            4348   15.999000   -0.698000
 -6.5690E-01  1.2571E+00  4.0098E+00
HO            4349    1.008000    0.433000
 -1.4356E+00  7.3158E-01  3.8255E+00
HC            4350    1.008000    0.040000
  2.3919E-02  1.9703E+00  2.3205E+00
HC            4351    1.008000    0.040000
 -3.9278E-01  3.2322E-01  2.1583E+00
HC            4352    1.008000    0.040000
  1.1379E+00  8.1296E-01  3.0211E+00
CT            4353   12.011000    0.145000
  6.8115E+00  2.7517E+00  7.1147E+00
OH            4354   15.999000   -0.698000
  6.8554E+00  1.4069E+00  6.7959E+00
HO            4355    1.008000    0.433000
  7.4640E+00  1.0151E+00  7.3952E+00
HC            4356    1.008000    0.040000
  7.6294E+00  3.2380E+00  6.4749E+00
HC            4357    1.008000    0.040000
  7.0165E+00  2.9934E+00  8.1967E+00
HC            4358    1.008000    0.040000
  5.9018E+00  3.2537E+00  6.7792E+00
CT            4359   12.011000    0.145000
 -1.2797E+01 -8.9977E+00  1.7899E+01
OH            4360   15.999000   -0.698000
 -1.2871E+01 -9.5135E+00  1.6613E+01
HO            4361    1.008000    0.433000
 -1.3665E+01 -9.1198E+00  1.6213E+01
HC            4362    1.008000    0.040000
 -1.3684E+01 -9.1652E+00 -1.7764E+01
HC            4363    1.008000    0.040000
 -1.2696E+01 -7.9302E+00  1.7688E+01
HC            4364    1.008000    0.040000
 -1.1921E+01 -9.3960E+00 -1.7828E+01
CT            4365   12.011000    0.145000
  1.0291E+01 -1.5128E+01 -1.0275E+00
OH            4366   15.999000   -0.698000
  1.1010E+01 -1.6333E+01 -1.1869E+00
HO            4367    1.008000    0.433000
  1.1962E+01 -1.6136E+01 -1.1700E+00
HC            4368    1.008000    0.040000
  1.0390E+01 -1.4424E+01 -1.8264E+00
HC            4369    1.008000    0.040000
  1.0626E+01 -1.4528E+01 -1.6587E-01
HC            4370    1.008000    0.040000
  9.2787E+00 -1.5451E+01 -8.1864E-01
CT            4371   12.011000    0.145000
 -6.5519E+00  1.0122E+01 -7.7494E+00
OH            4372   15.999000   -0.698000
 -5.8279E+00  9.6057E+00 -8.8650E+00
HO            4373    1.008000    0.433000
 -5.0111E+00  1.0077E+01 -9.0609E+00
HC            4374    1.008000    0.040000
 -6.4816E+00  1.1180E+01 -7.8822E+00
HC            4375    1.008000    0.040000
 -6.0849E+00  9.7999E+00 -6.7923E+00
HC            4376    1.008000    0.040000
 -7.5931E+00  9.8970E+00 -7.8071E+00
CT            4377   12.011000    0.145000
 -6.1857E+00 -5.3561E+00 -7.6532E+00
OH            4378   15.999000   -0.698000
 -6.6061E+00 -6.5028E+00 -6.8978E+00
HO            4379    1.008000    0.433000
 -7.1665E+00 -6.2639E+00 -6.1558E+00
HC            4380    1.008000    0.040000
 -7.0590E+00 -4.7830E+00 -8.1784E+00
HC            4381    1.008000    0.040000
 -5.5304E+00 -5.8073E+00 -8.3973E+00
HC            4382    1.008000    0.040000
 -5.6351E+00 -4.6505E+00 -6.9924E+00
CT            4383   12.011000    0.145000
  4.9826E+00  4.9113E+00 -1.0323E+01
OH            4384   15.999000   -0.698000
  4.3086E+00  5.7800E+00 -9.4485E+00
HO            4385    1.008000    0.433000
  4.2498E+00  5.3066E+00 -8.6007E+00
HC            4386    1.008000    0.040000
  4.5654E+00  3.9658E+00 -1.0408E+01
HC            4387    1.008000    0.040000
  6.0452E+00  4.9067E+00 -9.8718E+00
HC            4388    1.008000    0.040000
  5.1886E+00  5.3116E+00 -1.1267E+01
CT            4389   12.011000    0.145000
  1.0968E+01 -1.0156E+01 -1.1755E+01
OH            4390   15.999000   -0.698000
  1.1074E+01 -8.9215E+00 -1.2473E+01
HO            4391    1.008000    0.433000
  1.1245E+01 -8.2889E+00 -1.1816E+01
HC            4392    1.008000    0.040000
  1.1646E+01 -1.0436E+01 -1.0952E+01
HC            4393    1.008000    0.040000
  1.0854E+01 -1.1008E+01 -1.2492E+01
HC            4394    1.008000    0.040000
  1.0067E+01 -9.9863E+00 -1.1291E+01
CT            4395   12.011000    0.145000
 -1.2705E+01 -1.6645E+01 -1.5988E+01
OH            4396   15.999000   -0.698000
 -1.2053E+01 -1.5412E+01 -1.5508E+01
HO            4397    1.008000    0.433000
 -1.2630E+01 -1.4858E+01 -1.4948E+01
HC            4398    1.008000    0.040000
 -1.3400E+01 -1.7020E+01 -1.5196E+01
HC            4399    1.008000    0.040000
 -1.1861E+01 -1.7343E+01 -1.5994E+01
HC            4400    1.008000    0.040000
 -1.3107E+01 -1.6567E+01 -1.6990E+01
CT            4401   12.011000    0.145000
  1.4218E+01 -1.3853E+01 -5.1396E+00
OH            4402   15.999000   -0.698000
  1.4063E+01 -1.5102E+01 -4.3894E+00
HO            4403    1.008000    0.433000
  1.4223E+01 -1.5922E+01 -4.8590E+00
HC            4404    1.008000    0.040000
  1.5292E+01 -1.3787E+01 -5.4822E+00
HC            4405    1.008000    0.040000
  1.3984E+01 -1.3014E+01 -4.5048E+00
HC            4406    1.008000    0.040000
  1.3623E+01 -1.3840E+01 -6.0455E+00
CT            4407   12.011000    0.145000
 -8.5712E+00 -9.8763E+00  1.7933E+01
OH            4408   15.999000   -0.698000
 -9.3633E+00 -8.8171E+00 -1.7847E+01
HO            4409    1.008000    0.433000
 -9.4448E+00 -8.9097E+00 -1.6910E+01
HC            4410    1.008000    0.040000
 -8.4096E+00 -9.7932E+00  1.6823E+01
HC            4411    1.008000    0.040000
 -8.9070E+00 -1.0873E+01 -1.8000E+01
HC            4412    1.008000    0.040000
 -7.5273E+00 -9.7744E+00 -1.7951E+01
CT            4413   12.011000    0.145000
 -7.2965E+00 -9.3159E+00  5.8748E+00
OH            4414   15.999000   -0.698000
 -7.5882E+00 -1.0398E+01  5.0359E+00
HO            4415    1.008000    0.433000
 -7.9559E+00 -1.1143E+01  5.5865E+00
HC            4416    1.008000    0.040000
 -8.1707E+00 -8.9824E+00  6.2726E+00
HC            4417    1.008000    0.040000
 -6.8184E+00 -8.5528E+00  5.2557E+00
HC            4418    1.008000    0.040000
 -6.5791E+00 -9.7225E+00  6.6908E+00
CT            4419   12.011000    0.145000
  6.5526E+00 -1.4202E+01  2.6482E+00
OH            4420   15.999000   -0.698000
  6.0683E+00 -1.3239E+01  1.7685E+00
HO            4421    1.008000    0.433000
  6.8182E+00 -1.2802E+01  1.4040E+00
HC            4422    1.008000    0.040000
  5.7092E+00 -1.4674E+01  3.1914E+00
HC            4423    1.008000    0.040000
  7.1469E+00 -1.3815E+01  3.4865E+00
HC            4424    1.008000    0.040000
  7.0936E+00 -1.4886E+01  1.8734E+00
CT            4425   12.011000    0.145000
  1.9272E+00  2.3359E+00  8.4083E+00
OH            4426   15.999000   -0.698000
  3.1027E+00  1.5122E+00  8.2190E+00
HO            4427    1.008000    0.433000
  3.4724E+00  1.4323E+00  9.0572E+00
HC            4428    1.008000    0.040000
  2.3484E+00  3.3325E+00  8.5983E+00
HC            4429    1.008000    0.040000
  1.3741E+00  2.0312E+00  9.2778E+00
HC            4430    1.008000    0.040000
  1.3897E+00  2.4142E+00  7.5461E+00
CT            4431   12.011000    0.145000
 -1.2935E+01  1.0580E+01 -1.1027E+01
OH            4432   15.999000   -0.698000
 -1.3416E+01  1.0691E+01 -9.6883E+00
HO            4433    1.008000    0.433000
 -1.2598E+01  1.0988E+01 -9.2455E+00
HC            4434    1.008000    0.040000
 -1.3503E+01  9.9083E+00 -1.1592E+01
HC            4435    1.008000    0.040000
 -1.1957E+01  1.0235E+01 -1.0918E+01
HC            4436    1.008000    0.040000
 -1.3030E+01  1.1578E+01 -1.1487E+01
CT            4437   12.011000    0.145000
  5.0339E+00 -5.0252E+00 -9.9771E+00
OH            4438   15.999000   -0.698000
  4.6495E+00 -5.6620E+00 -8.7220E+00
HO            4439    1.008000    0.433000
  5.1423E+00 -6.5122E+00 -8.6009E+00
HC            4440    1.008000    0.040000
  5.9710E+00 -4.4074E+00 -9.7740E+00
HC            4441    1.008000    0.040000
  4.2812E+00 -4.3151E+00 -1.0330E+01
HC            4442    1.008000    0.040000
  5.1953E+00 -5.8718E+00 -1.0724E+01
CT            4443   12.011000    0.145000
 -7.3934E+00  1.6271E+01 -2.7339E+00
OH            4444   15.999000   -0.698000
 -6.3029E+00  1.5992E+01 -1.8967E+00
HO            4445    1.008000    0.433000
 -5.5859E+00  1.5856E+01 -2.4927E+00
HC            4446    1.008000    0.040000
 -7.2392E+00  1.7047E+01 -3.4538E+00
HC            4447    1.008000    0.040000
 -8.2771E+00  1.6452E+01 -2.0899E+00
HC            4448    1.008000    0.040000
 -7.7020E+00  1.5422E+01 -3.3207E+00
CT            4449   12.011000    0.145000
  7.3525E+00  8.4235E+00  3.0019E+00
OH            4450   15.999000   -0.698000
  6.0467E+00  8.6232E+00  3.4851E+00
HO            4451    1.008000    0.433000
  5.5545E+00  7.8516E+00  3.2787E+00
HC            4452    1.008000    0.040000
  7.6237E+00  9.1709E+00  2.2452E+00
HC            4453    1.008000    0.040000
  7.3658E+00  7.4081E+00  2.4439E+00
HC            4454    1.008000    0.040000
  8.0129E+00  8.3449E+00  3.8439E+00
CT            4455   12.011000    0.145000
 -1.7979E+01 -8.4406E+00  1.3987E+01
OH            4456   15.999000   -0.698000
 -1.7139E+01 -7.3783E+00  1.3903E+01
HO            4457    1.008000    0.433000
 -1.6691E+01 -7.4557E+00  1.3076E+01
HC            4458    1.008000    0.040000
  1.7536E+01 -8.2921E+00  1.3257E+01
HC            4459    1.008000    0.040000
  1.7807E+01 -8.3045E+00  1.4968E+01
HC            4460    1.008000    0.040000
 -1.7369E+01 -9.2735E+00  1.3902E+01
CT            4461   12.011000    0.145000
  1.5742E+01  1.1853E+01 -5.4260E+00
OH            4462   15.999000   -0.698000
  1.4947E+01  1.0799E+01 -6.0230E+00
HO            4463    1.008000    0.433000
  1.5542E+01  1.0232E+01 -6.5259E+00
HC            4464    1.008000    0.040000
  1.6029E+01  1.2602E+01 -6.1440E+00
HC            4465    1.008000    0.040000
  1.6554E+01  1.1445E+01 -4.7944E+00
HC            4466    1.008000    0.040000
  1.5058E+01  1.2525E+01 -4.9214E+00
CT            4467   12.011000    0.145000
  1.4999E+01 -1.5462E+01  1.6887E+01
OH            4468   15.999000   -0.698000
  1.5445E+01 -1.6676E+01  1.6316E+01
HO            4469    1.008000    0.433000
  1.6346E+01 -1.6819E+01  1.6613E+01
HC            4470    1.008000    0.040000
  1.4081E+01 -1.5148E+01  1.6307E+01
HC            4471    1.008000    0.040000
  1.5801E+01 -1.4665E+01  1.6768E+01
HC            4472    1.008000    0.040000
  1.4810E+01 -1.5564E+01  1.7926E+01
CT            4473   12.011000    0.145000
 -1.4592E+01 -1.7845E+01 -3.1613E+00
OH            4474   15.999000   -0.698000
 -1.5824E+01 -1.8037E+01 -3.8033E+00
HO            4475    1.008000    0.433000
 -1.5732E+01  1.7517E+01 -4.4304E+00
HC            4476    1.008000    0.040000
 -1.4568E+01 -1.6965E+01 -2.6154E+00
HC            4477    1.008000    0.040000
 -1.3720E+01 -1.7893E+01 -3.8871E+00
HC            4478    1.008000    0.040000
 -1.4286E+01  1.7612E+01 -2.4447E+00
CT            4479   12.011000    0.145000
 -1.1136E+00  1.3832E+01  1.4052E+01
OH            4480   15.999000   -0.698000
  1.0760E-01  1.3264E+01  1.4566E+01
HO            4481    1.008000    0.433000
  7.6908E-01  1.3108E+01  1.3875E+01
HC            4482    1.008000    0.040000
 -1.6190E+00  1.3096E+01  1.3520E+01
HC            4483    1.008000    0.040000
 -1.0204E+00  1.4675E+01  1.3440E+01
HC            4484    1.008000    0.040000
 -1.6257E+00  1.4200E+01  1.4893E+01
CT            4485   12.011000    0.145000
 -6.2129E+00  1.4024E+01 -5.8833E+00
OH            4486   15.999000   -0.698000
 -6.4274E+00  1.3901E+01 -7.3044E+00
HO            4487    1.008000    0.433000
 -5.6021E+00  1.3716E+01 -7.6659E+00
HC            4488    1.008000    0.040000
 -5.8684E+00  1.3100E+01 -5.4484E+00
HC            4489    1.008000    0.040000
 -7.1075E+00  1.4457E+01 -5.4167E+00
HC            4490    1.008000    0.040000
 -5.4642E+00  1.4864E+01 -5.8536E+00
CT            4491   12.011000    0.145000
  1.0670E+01 -2.0737E+00  3.1514E+00
OH            4492   15.999000   -0.698000
  1.0669E+01 -3.3558E+00  3.7244E+00
HO            4493    1.008000    0.433000
  9.7783E+00 -3.6575E+00  3.9850E+00
HC            4494    1.008000    0.040000
  1.0619E+01 -1.2642E+00  3.8744E+00
HC            4495    1.008000    0.040000
  9.8706E+00 -1.9440E+00  2.4654E+00
HC            4496    1.008000    0.040000
  1.1542E+01 -1.8188E+00  2.5693E+00
CT            4497   12.011000    0.145000
 -1.0955E+01 -1.8003E+01  1.6598E+01
OH            4498   15.999000   -0.698000
 -9.9818E+00 -1.7670E+01  1.7546E+01
HO            4499    1.008000    0.433000
 -9.8114E+00  1.7823E+01  1.8031E+01
HC            4500    1.008000    0.040000
 -1.1431E+01 -1.7160E+01  1.6014E+01
HC            4501    1.008000    0.040000
 -1.1738E+01  1.7712E+01  1.7125E+01
HC            4502    1.008000    0.040000
 -1.0396E+01  1.7690E+01  1.5801E+01
CT            4503   12.011000    0.145000
 -8.0459E+00  3.7269E+00  1.3071E+01
OH            4504   15.999000   -0.698000
 -7.6007E+00  5.0329E+00  1.3325E+01
HO            4505    1.008000    0.433000
 -7.6755E+00  5.5132E+00  1.2459E+01
HC            4506    1.008000    0.040000
 -7.8750E+00  3.6957E+00  1.2019E+01
HC            4507    1.008000    0.040000
 -9.1167E+00  3.7253E+00  1.3345E+01
HC            4508    1.008000    0.040000
 -7.3947E+00  2.9447E+00  1.3406E+01
CT            4509   12.011000    0.145000
 -1.0655E+01 -6.2462E+00  1.7102E+00
OH            4510   15.999000   -0.698000
 -1.1961E+01 -6.7961E+00  2.0217E+00
HO            4511    1.008000    0.433000
 -1.2610E+01 -6.2823E+00  1.4922E+00
HC            4512    1.008000    0.040000
 -1.0274E+01 -5.4686E+00  2.4086E+00
HC            4513    1.008000    0.040000
 -1.0749E+01 -5.8689E+00  6.3850E-01
HC            4514    1.008000    0.040000
 -9.8359E+00 -6.9577E+00  1.6330E+00
CT            4515   12.011000    0.145000
 -6.5474E-01 -1.1197E+01 -7.7698E-01
OH            4516   15.999000   -0.698000
 -1.2244E+00 -1.2339E+01 -5.2090E-02
HO            4517    1.008000    0.433000
 -5.4289E-01 -1.2958E+01  2.4002E-01
HC            4518    1.008000    0.040000
 -1.2062E+00 -1.0266E+01 -6.2661E-01
HC            4519    1.008000    0.040000
 -7.6255E-01 -1.1381E+01 -1.8270E+00
HC            4520    1.008000    0.040000
  4.3041E-01 -1.1086E+01 -4.9710E-01
CT            4521   12.011000    0.145000
 -1.7230E+01 -7.7276E+00 -1.0245E+01
OH            4522   15.999000   -0.698000
 -1.7738E+01 -8.7974E+00 -1.0990E+01
HO            4523    1.008000    0.433000
  1.7526E+01 -8.7475E+00 -1.0928E+01
HC            4524    1.008000    0.040000
 -1.7435E+01 -6.7595E+00 -1.0787E+01
HC            4525    1.008000    0.040000
 -1.6209E+01 -7.8367E+00 -9.9074E+00
HC            4526    1.008000    0.040000
 -1.7780E+01 -7.5903E+00 -9.3074E+00
CT            4527   12.011000    0.145000
 -7.7268E+00 -4.3924E+00 -1.1656E+01
OH            4528   15.999000   -0.698000
 -7.9243E+00 -3.1320E+00 -1.0931E+01
HO            4529    1.008000    0.433000
 -7.0113E+00 -2.7960E+00 -1.0760E+01
HC            4530    1.008000    0.040000
 -8.3687E+00 -5.2002E+00 -1.1194E+01
HC            4531    1.008000    0.040000
 -6.6915E+00 -4.7831E+00 -1.1538E+01
HC            4532    1.008000    0.040000
 -7.8803E+00 -4.2378E+00 -1.2717E+01
CT            4533   12.011000    0.145000
 -9.4847E+00  8.8875E+00 -1.3790E+01
OH            4534   15.999000   -0.698000
 -1.0724E+01  8.9986E+00 -1.2974E+01
HO            4535    1.008000    0.433000
 -1.0733E+01  8.1856E+00 -1.2417E+01
HC            4536    1.008000    0.040000
 -9.5675E+00  8.0269E+00 -1.4393E+01
HC            4537    1.008000    0.040000
 -8.5680E+00  8.9615E+00 -1.3211E+01
HC            4538    1.008000    0.040000
 -9.4666E+00  9.7126E+00 -1.4471E+01
CT            4539   12.011000    0.145000
 -1.1166E+01 -1.0293E+01  8.5145E-01
OH            4540   15.999000   -0.698000
 -9.9595E+00 -9.5632E+00  1.2362E+00
HO            4541    1.008000    0.433000
 -1.0330E+01 -8.7295E+00  1.5129E+00
HC            4542    1.008000    0.040000
 -1.2015E+01 -9.6601E+00  5.9794E-01
HC            4543    1.008000    0.040000
 -1.1443E+01 -1.1092E+01  1.5463E+00
HC            4544    1.008000    0.040000
 -1.0963E+01 -1.0890E+01  8.9418E-02
CT            4545   12.011000    0.145000
  1.1514E+01  8.8393E+00  2.4848E+00
OH            4546   15.999000   -0.698000
  1.2319E+01  8.5839E+00  3.6577E+00
HO            4547    1.008000    0.433000
  1.2017E+01  9.1598E+00  4.3483E+00
HC            4548    1.008000    0.040000
  1.2208E+01  9.5572E+00  2.0225E+00
HC            4549    1.008000    0.040000
  1.0544E+01  9.3711E+00  2.7476E+00
HC            4550    1.008000    0.040000
  1.1296E+01  7.9348E+00  1.8297E+00
CT            4551   12.011000    0.145000
 -2.7128E+00  8.9213E+00  8.1923E+00
OH            4552   15.999000   -0.698000
 -1.9632E+00  8.3343E+00  7.2081E+00
HO            4553    1.008000    0.433000
 -2.3292E+00  7.5150E+00  6.9565E+00
HC            4554    1.008000    0.040000
 -3.5526E+00  9.4984E+00  7.7584E+00
HC            4555    1.008000    0.040000
 -2.1360E+00  9.6066E+00  8.7883E+00
HC            4556    1.008000    0.040000
 -3.1765E+00  8.1152E+00  8.7873E+00
CT            4557   12.011000    0.145000
 -2.6124E+00 -6.7308E+00 -7.9629E+00
OH            4558   15.999000   -0.698000
 -2.4378E+00 -5.6059E+00 -8.8539E+00
HO            4559    1.008000    0.433000
 -2.0473E+00 -6.0568E+00 -9.5524E+00
HC            4560    1.008000    0.040000
 -3.5845E+00 -6.5669E+00 -7.5856E+00
HC            4561    1.008000    0.040000
 -1.8474E+00 -6.6231E+00 -7.2020E+00
HC            4562    1.008000    0.040000
 -2.5214E+00 -7.7076E+00 -8.4012E+00
CT            4563   12.011000    0.145000
  1.5309E+01  1.5778E+01  2.8664E+00
OH            4564   15.999000   -0.698000
  1.5464E+01  1.6723E+01  3.9101E+00
HO            4565    1.008000    0.433000
  1.6393E+01  1.6653E+01  4.1419E+00
HC            4566    1.008000    0.040000
  1.5315E+01  1.6162E+01  1.7967E+00
HC            4567    1.008000    0.040000
  1.4322E+01  1.5341E+01  3.0084E+00
HC            4568    1.008000    0.040000
  1.6117E+01  1.5030E+01  2.9945E+00
CT            4569   12.011000    0.145000
 -5.9481E+00 -1.8280E+00 -8.8314E+00
OH            4570   15.999000   -0.698000
 -5.3064E+00 -2.2292E+00 -1.0029E+01
HO            4571    1.008000    0.433000
 -4.5176E+00 -2.7111E+00 -9.7731E+00
HC            4572    1.008000    0.040000
 -5.2357E+00 -1.8533E+00 -8.0121E+00
HC            4573    1.008000    0.040000
 -6.7132E+00 -2.5644E+00 -8.5819E+00
HC            4574    1.008000    0.040000
 -6.3438E+00 -7.4741E-01 -8.8841E+00
CT            4575   12.011000    0.145000
  2.3817E+00 -1.2578E+01 -9.5314E+00
OH            4576   15.999000   -0.698000
  2.8763E+00 -1.3741E+01 -8.9206E+00
HO            4577    1.008000    0.433000
  2.4929E+00 -1.3697E+01 -8.0172E+00
HC            4578    1.008000    0.040000
  3.0688E+00 -1.2268E+01 -1.0326E+01
HC            4579    1.008000    0.040000
  2.4429E+00 -1.1784E+01 -8.7604E+00
HC            4580    1.008000    0.040000
  1.3711E+00 -1.2757E+01 -9.9019E+00
CT            4581   12.011000    0.145000
  6.7341E-01  2.5901E+00 -8.5009E+00
OH            4582   15.999000   -0.698000
  1.2245E+00  3.8228E+00 -8.8173E+00
HO            4583    1.008000    0.433000
  8.0801E-01  4.1774E+00 -9.5528E+00
HC            4584    1.008000    0.040000
  1.4309E+00  1.9695E+00 -8.0180E+00
HC            4585    1.008000    0.040000
  3.5929E-01  1.9792E+00 -9.4030E+00
HC            4586    1.008000    0.040000
 -1.8574E-01  2.7715E+00 -7.7871E+00
CT            4587   12.011000    0.145000
 -8.0243E+00  1.7051E+01  1.0280E+01
OH            4588   15.999000   -0.698000
 -7.7788E+00 -1.7794E+01  1.0195E+01
HO            4589    1.008000    0.433000
 -7.5900E+00 -1.7553E+01  1.1138E+01
HC            4590    1.008000    0.040000
 -8.7320E+00  1.6813E+01  1.1097E+01
HC            4591    1.008000    0.040000
 -7.0521E+00  1.6607E+01  1.0486E+01
HC            4592    1.008000    0.040000
 -8.4173E+00  1.6583E+01  9.4221E+00
CT            4593   12.011000    0.145000
 -1.3681E+01 -6.4905E+00  1.0372E+01
OH            4594   15.999000   -0.698000
 -1.3714E+01 -7.7385E+00  1.0990E+01
HO            4595    1.008000    0.433000
 -1.3140E+01 -7.7555E+00  1.1821E+01
HC            4596    1.008000    0.040000
 -1.2721E+01 -6.0382E+00  1.0313E+01
HC            4597    1.008000    0.040000
 -1.4375E+01 -5.7653E+00  1.0816E+01
HC            4598    1.008000    0.040000
 -1.4089E+01 -6.6630E+00  9.3359E+00
CT            4599   12.011000    0.145000
 -4.6429E+00  3.7893E+00  2.5952E+00
OH            4600   15.999000   -0.698000
 -3.6991E+00  2.9838E+00  3.2312E+00
HO            4601    1.008000    0.433000
 -3.2789E+00  3.5612E+00  3.8615E+00
HC            4602    1.008000    0.040000
 -4.8953E+00  3.4351E+00  1.5955E+00
HC            4603    1.008000    0.040000
 -4.2520E+00  4.8658E+00  2.4395E+00
HC            4604    1.008000    0.040000
 -5.5659E+00  3.9516E+00  3.1410E+00
CT            4605   12.011000    0.145000
  9.9635E+00 -1.4905E+01 -1.1777E+01
OH            4606   15.999000   -0.698000
  1.0379E+01 -1.3771E+01 -1.2553E+01
HO            4607    1.008000    0.433000
  1.1285E+01 -1.3590E+01 -1.2226E+01
HC            4608    1.008000    0.040000
  1.0675E+01 -1.5178E+01 -1.0919E+01
HC            4609    1.008000    0.040000
  1.0058E+01 -1.5772E+01 -1.2454E+01
HC            4610    1.008000    0.040000
  8.9137E+00 -1.4832E+01 -1.1454E+01
CT            4611   12.011000    0.145000
  1.0819E+01 -1.7639E+01 -3.9049E+00
OH            4612   15.999000   -0.698000
  9.5731E+00 -1.7351E+01 -3.3427E+00
HO            4613    1.008000    0.433000
  9.7988E+00 -1.7024E+01 -2.4489E+00
HC            4614    1.008000    0.040000
  1.0865E+01 -1.7943E+01 -4.9291E+00
HC            4615    1.008000    0.040000
  1.1469E+01  1.7902E+01 -3.3757E+00
HC            4616    1.008000    0.040000
  1.1320E+01 -1.6674E+01 -3.9822E+00
CT            4617   12.011000    0.145000
  1.3283E+01  1.7739E+01 -9.7483E+00
OH            4618   15.999000   -0.698000
  1.4158E+01 -1.7786E+01 -1.0634E+01
HO            4619    1.008000    0.433000
  1.4802E+01 -1.7326E+01 -1.0132E+01
HC            4620    1.008000    0.040000
  1.2478E+01 -1.7814E+01 -9.3831E+00
HC            4621    1.008000    0.040000
  1.3868E+01  1.7584E+01 -8.8289E+00
HC            4622    1.008000    0.040000
  1.2852E+01  1.6756E+01 -1.0036E+01
CT            4623   12.011000    0.145000
  6.9296E+00  1.5499E+01 -2.1508E+00
OH            4624   15.999000   -0.698000
  6.2497E+00  1.6033E+01 -1.0001E+00
HO            4625    1.008000    0.433000
  6.9505E+00  1.6328E+01 -3.6617E-01
HC            4626    1.008000    0.040000
  7.3650E+00  1.4631E+01 -1.9090E+00
HC            4627    1.008000    0.040000
  7.7475E+00  1.6168E+01 -2.5417E+00
HC            4628    1.008000    0.040000
  6.1668E+00  1.5345E+01 -2.9017E+00
CT            4629   12.011000    0.145000
 -1.4402E+01  9.3944E+00  8.5171E+00
OH            4630   15.999000   -0.698000
 -1.4418E+01  1.0493E+01  7.6405E+00
HO            4631    1.008000    0.433000
 -1.4541E+01  1.0062E+01  6.8234E+00
HC            4632    1.008000    0.040000
 -1.4193E+01  9.7801E+00  9.4708E+00
HC            4633    1.008000    0.040000
 -1.3561E+01  8.7342E+00  8.2213E+00
HC            4634    1.008000    0.040000
 -1.5354E+01  8.7820E+00  8.5105E+00
CT            4635   12.011000    0.145000
 -7.6207E+00 -1.6198E+01 -1.6441E+00
OH            4636   15.999000   -0.698000
 -7.5993E+00 -1.5907E+01 -2.9882E+00
HO            4637    1.008000    0.433000
 -8.3040E+00 -1.5305E+01 -3.1361E+00
HC            4638    1.008000    0.040000
 -7.2669E+00 -1.7235E+01 -1.4480E+00
HC            4639    1.008000    0.040000
 -8.6623E+00 -1.6127E+01 -1.4531E+00
HC            4640    1.008000    0.040000
 -7.0398E+00 -1.5432E+01 -1.0493E+00
CT            4641   12.011000    0.145000
 -1.3043E+00  1.3502E-01  1.2784E+01
OH            4642   15.999000   -0.698000
 -2.2603E+00  1.1656E+00  1.2682E+01
HO            4643    1.008000    0.433000
 -3.0613E+00  8.0106E-01  1.2476E+01
HC            4644    1.008000    0.040000
 -1.5018E+00 -4.7137E-01  1.3731E+01
HC            4645    1.008000    0.040000
 -3.5247E-01  5.3171E-01  1.2754E+01
HC            4646    1.008000    0.040000
 -1.4226E+00 -5.3437E-01  1.1868E+01
CT            4647   12.011000    0.145000
  1.0998E+00  1.4160E+01  7.5385E+00
OH            4648   15.999000   -0.698000
  1.3359E+00  1.4776E+01  6.2451E+00
HO            4649    1.008000    0.433000
  2.0953E+00  1.5352E+01  6.4138E+00
HC            4650    1.008000    0.040000
  1.8507E-02  1.3952E+01  7.5193E+00
HC            4651    1.008000    0.040000
  1.3213E+00  1.4701E+01  8.3805E+00
HC            4652    1.008000    0.040000
  1.7412E+00  1.3285E+01  7.5710E+00
CT            4653   12.011000    0.145000
 -1.1300E+01 -5.0664E+00 -1.7380E+01
OH            4654   15.999000   -0.698000
 -1.0351E+01 -3.9338E+00 -1.7278E+01
HO            4655    1.008000    0.433000
 -9.6105E+00 -4.0991E+00 -1.7878E+01
HC            4656    1.008000    0.040000
 -1.2020E+01 -5.0713E+00 -1.6579E+01
HC            4657    1.008000    0.040000
 -1.0702E+01 -6.0009E+00 -1.7330E+01
HC            4658    1.008000    0.040000
 -1.1808E+01 -5.1869E+00  1.7932E+01
CT            4659   12.011000    0.145000
  1.1960E+01  1.2673E+01  2.5979E+00
OH            4660   15.999000   -0.698000
  1.0993E+01  1.2512E+01  1.5659E+00
HO            4661    1.008000    0.433000
  1.0624E+01  1.3358E+01  1.3017E+00
HC            4662    1.008000    0.040000
  1.1496E+01  1.2705E+01  3.5543E+00
HC            4663    1.008000    0.040000
  1.2518E+01  1.3561E+01  2.4662E+00
HC            4664    1.008000    0.040000
  1.2595E+01  1.1859E+01  2.7348E+00
CT            4665   12.011000    0.145000
  2.3103E+00  1.6033E+01  1.6990E-01
OH            4666   15.999000   -0.698000
  1.2676E+00  1.5078E+01  1.2643E-01
HO            4667    1.008000    0.433000
  1.4109E+00  1.4457E+01  8.4547E-01
HC            4668    1.008000    0.040000
  2.9984E+00  1.5830E+01  1.0078E+00
HC            4669    1.008000    0.040000
  1.9377E+00  1.7024E+01  2.9225E-01
HC            4670    1.008000    0.040000
  2.9932E+00  1.5886E+01 -6.9959E-01
CT            4671   12.011000    0.145000
  8.8873E+00  6.2689E+00  4.1746E-01
OH            4672   15.999000   -0.698000
  9.5149E+00  5.3159E+00 -3.8825E-01
HO            4673    1.008000    0.433000
  1.0194E+01  5.7255E+00 -9.2434E-01
HC            4674    1.008000    0.040000
  8.0636E+00  5.9476E+00  1.0585E+00
HC            4675    1.008000    0.040000
  8.5111E+00  7.1658E+00 -1.5130E-01
HC            4676    1.008000    0.040000
  9.5518E+00  6.5896E+00  1.2495E+00
CT            4677   12.011000    0.145000
 -1.7162E+01  1.4311E+01  1.3766E+01
OH            4678   15.999000   -0.698000
 -1.7184E+01  1.5174E+01  1.4843E+01
HO            4679    1.008000    0.433000
 -1.7523E+01  1.6023E+01  1.4474E+01
HC            4680    1.008000    0.040000
 -1.8048E+01  1.4465E+01  1.3218E+01
HC            4681    1.008000    0.040000
 -1.7222E+01  1.3267E+01  1.4111E+01
HC            4682    1.008000    0.040000
 -1.6392E+01  1.4425E+01  1.3075E+01
CT            4683   12.011000    0.145000
 -2.8197E-01  8.9965E+00 -3.9540E+00
OH            4684   15.999000   -0.698000
 -6.5373E-02  9.3272E+00 -5.3605E+00
HO            4685    1.008000    0.433000
  7.6905E-01  9.8337E+00 -5.4659E+00
HC            4686    1.008000    0.040000
  5.1964E-01  8.3481E+00 -3.7183E+00
HC            4687    1.008000    0.040000
 -1.2132E+00  8.4088E+00 -3.7795E+00
HC            4688    1.008000    0.040000
 -2.3528E-01  9.8012E+00 -3.1477E+00
CT            4689   12.011000    0.145000
 -6.1769E+00 -1.1628E+01  1.5104E+01
OH            4690   15.999000   -0.698000
 -5.1562E+00 -1.0769E+01  1.4721E+01
HO            4691    1.008000    0.433000
 -4.2558E+00 -1.1194E+01  1.4777E+01
HC            4692    1.008000    0.040000
 -5.9814E+00 -1.1824E+01  1.6139E+01
HC            4693    1.008000    0.040000
 -6.2297E+00 -1.2598E+01  1.4642E+01
HC            4694    1.008000    0.040000
 -7.2372E+00 -1.1152E+01  1.4970E+01
CT            4695   12.011000    0.145000
  7.9529E+00 -1.7912E+01  3.5269E-01
OH            4696   15.999000   -0.698000
  8.1501E+00  1.7010E+01  8.4522E-01
HO            4697    1.008000    0.433000
  8.1262E+00  1.6977E+01  1.7973E+00
HC            4698    1.008000    0.040000
  8.0819E+00 -1.7923E+01 -7.3907E-01
HC            4699    1.008000    0.040000
  8.8650E+00 -1.7236E+01  5.6980E-01
HC            4700    1.008000    0.040000
  6.9803E+00 -1.7510E+01  5.9564E-01
CT            4701   12.011000    0.145000
  2.9854E+00 -7.1380E+00  1.2995E+01
OH            4702   15.999000   -0.698000
  3.9721E+00 -7.5941E+00  1.3923E+01
HO            4703    1.008000    0.433000
  4.5666E+00 -8.1577E+00  1.3449E+01
HC            4704    1.008000    0.040000
  2.4696E+00 -6.2849E+00  1.3488E+01
HC            4705    1.008000    0.040000
  2.2513E+00 -7.9406E+00  1.2846E+01
HC            4706    1.008000    0.040000
  3.4149E+00 -6.6774E+00  1.2055E+01
CT            4707   12.011000    0.145000
  7.0908E+00  9.9957E+00  1.0756E+01
OH            4708   15.999000   -0.698000
  8.0244E+00  8.9945E+00  1.0782E+01
HO            4709    1.008000    0.433000
  7.8281E+00  8.6682E+00  1.1661E+01
HC            4710    1.008000    0.040000
  7.4111E+00  1.0776E+01  1.1506E+01
HC            4711    1.008000    0.040000
  6.0419E+00  9.8403E+00  1.1098E+01
HC            4712    1.008000    0.040000
  7.0001E+00  1.0379E+01  9.7264E+00
CT            4713   12.011000    0.145000
  4.8714E+00 -9.8235E+00  5.7801E+00
OH            4714   15.999000   -0.698000
  5.9007E+00 -9.5706E+00  6.7813E+00
HO            4715    1.008000    0.433000
  6.1658E+00 -8.6478E+00  6.5742E+00
HC            4716    1.008000    0.040000
  4.0456E+00 -9.1663E+00  5.9242E+00
HC            4717    1.008000    0.040000
  4.5199E+00 -1.0849E+01  5.9613E+00
HC            4718    1.008000    0.040000
  5.2583E+00 -9.7820E+00  4.7606E+00
CT            4719   12.011000    0.145000
 -1.2114E+01 -1.4491E+01  6.8974E+00
OH            4720   15.999000   -0.698000
 -1.3514E+01 -1.4363E+01  6.6220E+00
HO            4721    1.008000    0.433000
 -1.3753E+01 -1.3649E+01  6.0628E+00
HC            4722    1.008000    0.040000
 -1.1563E+01 -1.5047E+01  6.1636E+00
HC            4723    1.008000    0.040000
 -1.1890E+01 -1.4935E+01  7.8453E+00
HC            4724    1.008000    0.040000
 -1.1784E+01 -1.3500E+01  6.9790E+00
CT            4725   12.011000    0.145000
 -3.9552E+00 -6.2102E+00 -4.4448E+00
OH            4726   15.999000   -0.698000
 -4.2426E+00 -7.3905E+00 -5.0810E+00
HO            4727    1.008000    0.433000
 -4.9601E+00 -7.1621E+00 -5.6344E+00
HC            4728    1.008000    0.040000
 -3.4591E+00 -5.3728E+00 -5.0073E+00
HC            4729    1.008000    0.040000
 -3.2414E+00 -6.4071E+00 -3.6777E+00
HC            4730    1.008000    0.040000
 -4.9219E+00 -5.6690E+00 -4.0775E+00
CT            4731   12.011000    0.145000
 -1.7259E+00  1.6765E+00 -4.1543E+00
OH            4732   15.999000   -0.698000
 -6.4723E-01  2.1060E+00 -4.8493E+00
HO            4733    1.008000    0.433000
 -8.0267E-01  3.0493E+00 -4.9598E+00
HC            4734    1.008000    0.040000
 -1.5850E+00  6.2200E-01 -3.9202E+00
HC            4735    1.008000    0.040000
 -2.5937E+00  1.8772E+00 -4.8359E+00
HC            4736    1.008000    0.040000
 -1.8129E+00  2.2057E+00 -3.2127E+00
CT            4737   12.011000    0.145000
  1.2007E+01  7.0450E+00 -1.7313E+01
OH            4738   15.999000   -0.698000
  1.2830E+01  5.8885E+00 -1.7343E+01
HO            4739    1.008000    0.433000
  1.2276E+01  5.1355E+00 -1.7221E+01
HC            4740    1.008000    0.040000
  1.1537E+01  7.2278E+00  1.7960E+01
HC            4741    1.008000    0.040000
  1.2636E+01  7.8751E+00 -1.7014E+01
HC            4742    1.008000    0.040000
  1.1177E+01  6.8678E+00 -1.6613E+01
CT            4743   12.011000    0.145000
 -6.1409E+00 -1.6533E+01 -1.6243E+01
OH            4744   15.999000   -0.698000
 -5.0729E+00 -1.7120E+01 -1.6893E+01
HO            4745    1.008000    0.433000
 -5.1003E+00 -1.8068E+01 -1.6689E+01
HC            4746    1.008000    0.040000
 -5.9660E+00 -1.5529E+01 -1.5741E+01
HC            4747    1.008000    0.040000
 -6.4840E+00 -1.7244E+01 -1.5448E+01
HC            4748    1.008000    0.040000
 -6.9479E+00 -1.6421E+01 -1.7035E+01
CT            4749   12.011000    0.145000
  6.3053E+00 -1.1561E+01 -8.0410E+00
OH            4750   15.999000   -0.698000
  7.0259E+00 -1.2781E+01 -8.2843E+00
HO            4751    1.008000    0.433000
  6.3207E+00 -1.3504E+01 -8.4866E+00
HC            4752    1.008000    0.040000
  6.9550E+00 -1.0738E+01 -8.1104E+00
HC            4753    1.008000    0.040000
  5.8042E+00 -1.1421E+01 -7.1410E+00
HC            4754    1.008000    0.040000
  5.6219E+00 -1.1373E+01 -8.8704E+00
CT            4755   12.011000    0.145000
  5.5277E+00  4.5967E+00 -1.6197E+01
OH            4756   15.999000   -0.698000
  6.6920E+00  3.9384E+00 -1.5801E+01
HO            4757    1.008000    0.433000
  6.5434E+00  3.0563E+00 -1.5454E+01
HC            4758    1.008000    0.040000
  4.7673E+00  4.0711E+00 -1.6769E+01
HC            4759    1.008000    0.040000
  5.7579E+00  5.3508E+00 -1.6934E+01
HC            4760    1.008000    0.040000
  5.0426E+00  5.0460E+00 -1.5334E+01
CT            4761   12.011000    0.145000
  1.8080E+01  1.2282E+01  4.9725E+00
OH            4762   15.999000   -0.698000
  1.7052E+01  1.1884E+01  5.8503E+00
HO            4763    1.008000    0.433000
  1.7131E+01  1.0925E+01  5.9686E+00
HC            4764    1.008000    0.040000
 -1.7253E+01  1.1829E+01  5.3481E+00
HC            4765    1.008000    0.040000
 -1.8097E+01  1.3323E+01  4.8441E+00
HC            4766    1.008000    0.040000
  1.8024E+01  1.1794E+01  4.0407E+00
CT            4767   12.011000    0.145000
 -9.0423E+00  6.0849E-01 -8.8694E+00
OH            4768   15.999000   -0.698000
 -1.0224E+01  1.3022E+00 -9.2419E+00
HO            4769    1.008000    0.433000
 -1.0933E+01  6.7442E-01 -9.3987E+00
HC            4770    1.008000    0.040000
 -8.1669E+00  1.1983E+00 -8.7571E+00
HC            4771    1.008000    0.040000
 -8.8131E+00  1.1631E-02 -9.7167E+00
HC            4772    1.008000    0.040000
 -9.1105E+00 -6.5916E-02 -7.9328E+00
CT            4773   12.011000    0.145000
 -1.0484E+01  1.3294E+01  1.2663E+01
OH            4774   15.999000   -0.698000
 -9.2613E+00  1.2847E+01  1.3252E+01
HO            4775    1.008000    0.433000
 -8.5715E+00  1.3319E+01  1.2793E+01
HC            4776    1.008000    0.040000
 -1.0712E+01  1.4245E+01  1.3192E+01
HC            4777    1.008000    0.040000
 -1.1373E+01  1.2687E+01  1.2770E+01
HC            4778    1.008000    0.040000
 -1.0279E+01  1.3467E+01  1.1622E+01
CT            4779   12.011000    0.145000
  4.2006E+00  1.2565E+01  1.0867E+01
OH            4780   15.999000   -0.698000
  4.3614E+00  1.2157E+01  9.5490E+00
HO            4781    1.008000    0.433000
  3.5749E+00  1.1649E+01  9.4102E+00
HC            4782    1.008000    0.040000
  5.2004E+00  1.2931E+01  1.1221E+01
HC            4783    1.008000    0.040000
  3.9382E+00  1.1776E+01  1.1595E+01
HC            4784    1.008000    0.040000
  3.4838E+00  1.3400E+01  1.1008E+01
CT            4785   12.011000    0.145000
  1.9267E+00 -3.0062E+00  1.3898E+01
OH            4786   15.999000   -0.698000
  1.5832E+00 -1.7291E+00  1.4464E+01
HO            4787    1.008000    0.433000
  9.2347E-01 -2.0539E+00  1.5085E+01
HC            4788    1.008000    0.040000
  2.3537E+00 -3.7646E+00  1.4598E+01
HC            4789    1.008000    0.040000
  2.7001E+00 -2.9356E+00  1.3159E+01
HC            4790    1.008000    0.040000
  1.0127E+00 -3.4859E+00  1.3448E+01
CT            4791   12.011000    0.145000
 -7.2897E+00  1.4147E+01 -1.0579E+01
OH            4792   15.999000   -0.698000
 -7.7445E+00  1.4980E+01 -9.5801E+00
HO            4793    1.008000    0.433000
 -7.2846E+00  1.4595E+01 -8.7838E+00
HC            4794    1.008000    0.040000
 -6.2577E+00  1.4164E+01 -1.0919E+01
HC            4795    1.008000    0.040000
 -7.7265E+00  1.4407E+01 -1.1542E+01
HC            4796    1.008000    0.040000
 -7.4985E+00  1.3145E+01 -1.0149E+01
CT            4797   12.011000    0.145000
 -1.7273E+00 -1.0206E+01 -7.9913E+00
OH            4798   15.999000   -0.698000
 -8.3743E-01 -9.8298E+00 -6.8969E+00
HO            4799    1.008000    0.433000
 -9.5039E-01 -1.0431E+01 -6.1452E+00
HC            4800    1.008000    0.040000
 -1.6439E+00 -9.7989E+00 -8.9532E+00
HC            4801    1.008000    0.040000
 -2.7047E+00 -9.8280E+00 -7.6083E+00
HC            4802    1.008000    0.040000
 -1.7180E+00 -1.1292E+01 -8.0348E+00
CT            4803   12.011000    0.145000
  1.3585E+01 -1.5101E+00 -7.3748E+00
OH            4804   15.999000   -0.698000
  1.2730E+01 -2.6661E+00 -7.2055E+00
HO            4805    1.008000    0.433000
  1.2284E+01 -2.6068E+00 -6.3751E+00
HC            4806    1.008000    0.040000
  1.3436E+01 -1.0104E+00 -8.3395E+00
HC            4807    1.008000    0.040000
  1.4645E+01 -1.7409E+00 -7.2888E+00
HC            4808    1.008000    0.040000
  1.3359E+01 -7.5946E-01 -6.6462E+00
CT            4809   12.011000    0.145000
  1.2262E-01 -3.7433E+00  1.7314E+01
OH            4810   15.999000   -0.698000
 -2.6511E-01 -2.9422E+00  1.6183E+01
HO            4811    1.008000    0.433000
 -1.0415E+00 -3.4029E+00  1.5787E+01
HC            4812    1.008000    0.040000
 -1.1515E-01 -4.7570E+00  1.7229E+01
HC            4813    1.008000    0.040000
 -4.1369E-01 -3.4161E+00 -1.8062E+01
HC            4814    1.008000    0.040000
  1.2383E+00 -3.5844E+00  1.7463E+01
CT            4815   12.011000    0.145000
  2.8892E+00 -1.9498E+00  4.4024E+00
OH            4816   15.999000   -0.698000
  4.1553E+00 -2.1594E+00  3.8399E+00
HO            4817    1.008000    0.433000
  4.6141E+00 -1.3456E+00  4.0381E+00
HC            4818    1.008000    0.040000
  2.9363E+00 -1.6134E+00  5.4448E+00
HC            4819    1.008000    0.040000
  2.3569E+00 -2.8710E+00  4.3665E+00
HC            4820    1.008000    0.040000
  2.2729E+00 -1.2949E+00  3.9015E+00
CT            4821   12.011000    0.145000
 -1.9029E+00 -2.4020E+00  3.6152E-01
OH            4822   15.999000   -0.698000
 -7.2705E-01 -1.8968E+00  9.4792E-01
HO            4823    1.008000    0.433000
 -5.9596E-01 -1.0152E+00  6.1622E-01
HC            4824    1.008000    0.040000
 -1.6606E+00 -3.0238E+00 -5.2294E-01
HC            4825    1.008000    0.040000
 -2.6005E+00 -1.5798E+00  2.0519E-01
HC            4826    1.008000    0.040000
 -2.4480E+00 -3.0165E+00  1.0264E+00
CT            4827   12.011000    0.145000
  1.2875E+01 -1.2561E+01  1.2611E+01
OH            4828   15.999000   -0.698000
  1.1994E+01 -1.2961E+01  1.3656E+01
HO            4829    1.008000    0.433000
  1.2349E+01 -1.2461E+01  1.4435E+01
HC            4830    1.008000    0.040000
  1.2941E+01 -1.3445E+01  1.2011E+01
HC            4831    1.008000    0.040000
  1.3833E+01 -1.2382E+01  1.3001E+01
HC            4832    1.008000    0.040000
  1.2531E+01 -1.1615E+01  1.2108E+01
CT            4833   12.011000    0.145000
  1.4884E+01  1.1600E+01 -1.2914E+01
OH            4834   15.999000   -0.698000
  1.4122E+01  1.1539E+01 -1.1690E+01
HO            4835    1.008000    0.433000
  1.4049E+01  1.0559E+01 -1.1616E+01
HC            4836    1.008000    0.040000
  1.4620E+01  1.0955E+01 -1.3681E+01
HC            4837    1.008000    0.040000
  1.5945E+01  1.1507E+01 -1.2661E+01
HC            4838    1.008000    0.040000
  1.4825E+01  1.2693E+01 -1.3152E+01
CT            4839   12.011000    0.145000
  3.6474E+00  1.4848E+01  1.4684E+01
OH            4840   15.999000   -0.698000
  3.6853E+00  1.6084E+01  1.5438E+01
HO            4841    1.008000    0.433000
  4.0534E+00  1.5929E+01  1.6322E+01
HC            4842    1.008000    0.040000
  3.1040E+00  1.4067E+01  1.5251E+01
HC            4843    1.008000    0.040000
  4.6848E+00  1.4434E+01  1.4683E+01
HC            4844    1.008000    0.040000
  3.3358E+00  1.5007E+01  1.3643E+01
CT            4845   12.011000    0.145000
  5.0115E+00 -1.0677E+01 -7.9078E-01
OH            4846   15.999000   -0.698000
  3.7024E+00 -1.0786E+01 -1.3054E+00
HO            4847    1.008000    0.433000
  3.8290E+00 -1.0517E+01 -2.2946E+00
HC            4848    1.008000    0.040000
  5.4589E+00 -9.7579E+00 -1.1148E+00
HC            4849    1.008000    0.040000
  5.6993E+00 -1.1507E+01 -9.5212E-01
HC            4850    1.008000    0.040000
  4.9585E+00 -1.0617E+01  3.0355E-01
CT            4851   12.011000    0.145000
  8.1174E+00  1.3155E+01 -1.2598E+01
OH            4852   15.999000   -0.698000
  7.8817E+00  1.3992E+01 -1.3671E+01
HO            4853    1.008000    0.433000
  7.4767E+00  1.3504E+01 -1.4358E+01
HC            4854    1.008000    0.040000
  8.5434E+00  1.2236E+01 -1.2891E+01
HC            4855    1.008000    0.040000
  7.2484E+00  1.2842E+01 -1.2137E+01
HC            4856    1.008000    0.040000
  8.8696E+00  1.3419E+01 -1.1849E+01
CT            4857   12.011000    0.145000
 -1.5162E+01  1.9318E+00  1.7968E+01
OH            4858   15.999000   -0.698000
 -1.5667E+01  2.4706E+00  1.6700E+01
HO            4859    1.008000    0.433000
 -1.6261E+01  3.2566E+00  1.6912E+01
HC            4860    1.008000    0.040000
 -1.4064E+01  2.0148E+00 -1.8093E+01
HC            4861    1.008000    0.040000
 -1.5525E+01  8.9078E-01 -1.7996E+01
HC            4862    1.008000    0.040000
 -1.5541E+01  2.5032E+00 -1.7411E+01
CT            4863   12.011000    0.145000
  2.0033E+00  1.7296E+01 -1.6987E+01
OH            4864   15.999000   -0.698000
  2.8283E+00  1.6241E+01 -1.7484E+01
HO            4865    1.008000    0.433000
  2.5037E+00  1.5366E+01 -1.7241E+01
HC            4866    1.008000    0.040000
  2.4664E+00 -1.7985E+01 -1.7169E+01
HC            4867    1.008000    0.040000
  1.6116E+00  1.7350E+01 -1.5933E+01
HC            4868    1.008000    0.040000
  1.1216E+00  1.7329E+01 -1.7619E+01
CT            4869   12.011000    0.145000
 -1.5010E+01  2.9585E-01  1.3087E+01
OH            4870   15.999000   -0.698000
 -1.4383E+01  7.9513E-01  1.1874E+01
HO            4871    1.008000    0.433000
 -1.4564E+01  1.0987E-01  1.1272E+01
HC            4872    1.008000    0.040000
 -1.4705E+01 -7.3951E-01  1.3209E+01
HC            4873    1.008000    0.040000
 -1.6061E+01  3.4092E-01  1.2864E+01
HC            4874    1.008000    0.040000
 -1.4765E+01  9.9951E-01  1.3847E+01
CT            4875   12.011000    0.145000
  6.7564E+00  1.8385E+00 -1.0628E+01
OH            4876   15.999000   -0.698000
  7.5304E+00  7.0239E-01 -1.0829E+01
HO            4877    1.008000    0.433000
  6.8594E+00 -1.3593E-02 -1.0885E+01
HC            4878    1.008000    0.040000
  7.4232E+00  2.6519E+00 -1.0435E+01
HC            4879    1.008000    0.040000
  6.2047E+00  1.7267E+00 -9.7109E+00
HC            4880    1.008000    0.040000
  6.2146E+00  1.9985E+00 -1.1513E+01
CT            4881   12.011000    0.145000
  1.7508E+01  1.5079E+01 -4.1709E+00
OH            4882   15.999000   -0.698000
 -1.8051E+01  1.4582E+01 -5.3059E+00
HO            4883    1.008000    0.433000
 -1.7197E+01  1.5028E+01 -5.3686E+00
HC            4884    1.008000    0.040000
  1.6634E+01  1.4465E+01 -3.9709E+00
HC            4885    1.008000    0.040000
  1.7050E+01  1.6069E+01 -4.2987E+00
HC            4886    1.008000    0.040000
 -1.8050E+01  1.5005E+01 -3.2745E+00
CT            4887   12.011000    0.145000
 -8.8129E+00 -1.4198E+01  1.5883E+01
OH            4888   15.999000   -0.698000
 -8.2936E+00 -1.4192E+01  1.7218E+01
HO            4889    1.008000    0.433000
 -8.9173E+00 -1.4448E+01  1.7857E+01
HC            4890    1.008000    0.040000
 -8.4003E+00 -1.3267E+01  1.5390E+01
HC            4891    1.008000    0.040000
 -9.9037E+00 -1.4097E+01  1.5894E+01
HC            4892    1.008000    0.040000
 -8.5083E+00 -1.5109E+01  1.5327E+01
CT            4893   12.011000    0.145000
  5.8916E+00  1.5018E+01 -9.3418E+00
OH            4894   15.999000   -0.698000
  5.7654E+00  1.4099E+01 -1.0311E+01
HO            4895    1.008000    0.433000
  5.6738E+00  1.3320E+01 -9.8419E+00
HC            4896    1.008000    0.040000
  5.9353E+00  1.5974E+01 -9.7806E+00
HC            4897    1.008000    0.040000
  6.8078E+00  1.4860E+01 -8.8121E+00
HC            4898    1.008000    0.040000
  4.9724E+00  1.4992E+01 -8.7964E+00
CT            4899   12.011000    0.145000
  3.0084E+00 -1.4412E+01 -5.4635E+00
OH            4900   15.999000   -0.698000
  2.0753E+00 -1.3644E+01 -6.1585E+00
HO            4901    1.008000    0.433000
  1.3341E+00 -1.3519E+01 -5.5822E+00
HC            4902    1.008000    0.040000
  3.9440E+00 -1.4324E+01 -6.0609E+00
HC            4903    1.008000    0.040000
  2.6105E+00 -1.5376E+01 -5.1738E+00
HC            4904    1.008000    0.040000
  3.0991E+00 -1.4019E+01 -4.4444E+00
CT            4905   12.011000    0.145000
 -4.1327E-01  1.1901E+01 -7.3291E-01
OH            4906   15.999000   -0.698000
 -1.3323E+00  1.2420E+01 -1.6855E+00
HO            4907    1.008000    0.433000
 -2.0461E+00  1.1800E+01 -1.7837E+00
HC            4908    1.008000    0.040000
 -8.3817E-01  1.1238E+01  4.2272E-02
HC            4909    1.008000    0.040000
 -7.0570E-02  1.2656E+01 -8.2698E-02
HC            4910    1.008000    0.040000
  4.1510E-01  1.1267E+01 -1.1387E+00
CT            4911   12.011000    0.145000
  6.1013E+00  1.1237E+00 -6.8081E+00
OH            4912   15.999000   -0.698000
  4.7939E+00  1.7067E+00 -7.0765E+00
HO            4913    1.008000    0.433000
  4.2119E+00  1.1423E+00 -6.6150E+00
HC            4914    1.008000    0.040000
  6.9382E+00  1.7652E+00 -7.1637E+00
HC            4915    1.008000    0.040000
  6.2365E+00  2.6603E-01 -7.4079E+00
HC            4916    1.008000    0.040000
  6.3239E+00  9.7579E-01 -5.6940E+00
CT            4917   12.011000    0.145000
 -1.6451E+01  2.1458E+00  8.5713E+00
OH            4918   15.999000   -0.698000
 -1.6586E+01  3.5365E+00  8.3839E+00
HO            4919    1.008000    0.433000
 -1.7297E+01  3.7789E+00  8.9608E+00
HC            4920    1.008000    0.040000
 -1.7392E+01  1.6835E+00  8.2585E+00
HC            4921    1.008000    0.040000
 -1.6171E+01  1.8738E+00  9.5971E+00
HC            4922    1.008000    0.040000
 -1.5733E+01  1.7060E+00  7.9002E+00
CT            4923   12.011000    0.145000
 -1.1429E+01  8.2449E+00  5.2652E-01
OH            4924   15.999000   -0.698000
 -1.0456E+01  7.4048E+00  1.1606E+00
HO            4925    1.008000    0.433000
 -1.0743E+01  7.3287E+00  2.1208E+00
HC            4926    1.008000    0.040000
 -1.1271E+01  8.3146E+00 -5.8640E-01
HC            4927    1.008000    0.040000
 -1.1550E+01  9.1807E+00  1.0441E+00
HC            4928    1.008000    0.040000
 -1.2376E+01  7.7526E+00  7.2099E-01
CT            4929   12.011000    0.145000
 -4.5881E+00  1.5777E+01  1.3245E+01
OH            4930   15.999000   -0.698000
 -5.1303E+00  1.4484E+01  1.3402E+01
HO            4931    1.008000    0.433000
 -4.6513E+00  1.3862E+01  1.2813E+01
HC            4932    1.008000    0.040000
 -3.5399E+00  1.5905E+01  1.3489E+01
HC            4933    1.008000    0.040000
 -5.1978E+00  1.6443E+01  1.3857E+01
HC            4934    1.008000    0.040000
 -4.6954E+00  1.6076E+01  1.2250E+01
CT            4935   12.011000    0.145000
 -8.0505E+00 -9.9636E+00 -1.0829E+01
OH            4936   15.999000   -0.698000
 -8.7391E+00 -8.9275E+00 -1.1380E+01
HO            4937    1.008000    0.433000
 -9.6190E+00 -9.1839E+00 -1.1626E+01
HC            4938    1.008000    0.040000
 -7.8279E+00 -1.0791E+01 -1.1507E+01
HC            4939    1.008000    0.040000
 -8.6118E+00 -1.0353E+01 -9.9827E+00
HC            4940    1.008000    0.040000
 -7.1566E+00 -9.4972E+00 -1.0534E+01
CT            4941   12.011000    0.145000
 -1.1009E+01 -3.7134E+00 -9.6850E+00
OH            4942   15.999000   -0.698000
 -9.8973E+00 -3.0727E+00 -9.0502E+00
HO            4943    1.008000    0.433000
 -9.2382E+00 -3.0433E+00 -9.7482E+00
HC            4944    1.008000    0.040000
 -1.1854E+01 -4.1029E+00 -9.0077E+00
HC            4945    1.008000    0.040000
 -1.0617E+01 -4.5240E+00 -1.0128E+01
HC            4946    1.008000    0.040000
 -1.1395E+01 -2.9685E+00 -1.0437E+01
CT            4947   12.011000    0.145000
  1.5882E+01 -8.1295E+00 -1.7792E+01
OH            4948   15.999000   -0.698000
  1.6048E+01 -8.9743E+00  1.7343E+01
HO            4949    1.008000    0.433000
  1.5573E+01 -8.5507E+00  1.6568E+01
HC            4950    1.008000    0.040000
  1.6124E+01 -8.6386E+00 -1.6846E+01
HC            4951    1.008000    0.040000
  1.4823E+01 -7.8502E+00 -1.7749E+01
HC            4952    1.008000    0.040000
  1.6561E+01 -7.2640E+00 -1.7811E+01
CT            4953   12.011000    0.145000
  9.6272E+00 -1.5345E+01  1.3251E+01
OH            4954   15.999000   -0.698000
  9.9001E+00 -1.4491E+01  1.4342E+01
HO            4955    1.008000    0.433000
  1.0656E+01 -1.3922E+01  1.4193E+01
HC            4956    1.008000    0.040000
  9.4345E+00 -1.4786E+01  1.2313E+01
HC            4957    1.008000    0.040000
  8.7723E+00 -1.5977E+01  1.3438E+01
HC            4958    1.008000    0.040000
  1.0399E+01 -1.6123E+01  1.3234E+01
CT            4959   12.011000    0.145000
  1.6891E+01 -5.1230E+00  1.3851E+01
OH            4960   15.999000   -0.698000
  1.8073E+01 -4.9563E+00  1.4496E+01
HO            4961    1.008000    0.433000
 -1.7712E+01 -5.8041E+00  1.4413E+01
HC            4962    1.008000    0.040000
  1.6274E+01 -4.2651E+00  1.3597E+01
HC            4963    1.008000    0.040000
  1.6052E+01 -5.5453E+00  1.4521E+01
HC            4964    1.008000    0.040000
  1.7032E+01 -5.7766E+00  1.3011E+01
CT            4965   12.011000    0.145000
  4.2187E+00  3.5131E-01 -1.3666E+01
OH            4966   15.999000   -0.698000
  4.9032E+00 -6.3819E-01 -1.4359E+01
HO            4967    1.008000    0.433000
  5.7883E+00 -1.9793E-01 -1.4425E+01
HC            4968    1.008000    0.040000
  4.1851E+00  1.3363E+00 -1.4197E+01
HC            4969    1.008000    0.040000
  4.6316E+00  4.7955E-01 -1.2637E+01
HC            4970    1.008000    0.040000
  3.1077E+00  1.3551E-01 -1.3558E+01
CT            4971   12.011000    0.145000
  1.5038E+01 -4.7844E+00 -3.5155E+00
OH            4972   15.999000   -0.698000
  1.3729E+01 -5.1647E+00 -3.6693E+00
HO            4973    1.008000    0.433000
  1.3283E+01 -4.8277E+00 -2.8567E+00
HC            4974    1.008000    0.040000
  1.5239E+01 -3.9794E+00 -4.1577E+00
HC            4975    1.008000    0.040000
  1.5740E+01 -5.5745E+00 -3.8406E+00
HC            4976    1.008000    0.040000
  1.5296E+01 -4.4866E+00 -2.5456E+00
CT            4977   12.011000    0.145000
  1.6117E+01  1.7870E+01 -1.6517E+01
OH            4978   15.999000   -0.698000
  1.5473E+01 -1.7160E+01 -1.6191E+01
HO            4979    1.008000    0.433000
  1.6160E+01 -1.6657E+01 -1.5698E+01
HC            4980    1.008000    0.040000
  1.5724E+01  1.7464E+01 -1.7441E+01
HC            4981    1.008000    0.040000
  1.5905E+01  1.7191E+01 -1.5701E+01
HC            4982    1.008000    0.040000
  1.7186E+01  1.7956E+01 -1.6639E+01
CT            4983   12.011000    0.145000
 -1.7906E+01  8.4965E+00 -3.7912E+00
OH            4984   15.999000   -0.698000
  1.7124E+01  9.2128E+00 -3.7954E+00
HO            4985    1.008000    0.433000
  1.6395E+01  8.6050E+00 -3.6532E+00
HC            4986    1.008000    0.040000
 -1.7042E+01  9.1125E+00 -4.0001E+00
HC            4987    1.008000    0.040000
 -1.7981E+01  7.6735E+00 -4.4484E+00
HC            4988    1.008000    0.040000
 -1.7764E+01  8.1138E+00 -2.7769E+00
CT            4989   12.011000    0.145000
 -1.5766E+01 -3.6526E+00  1.2050E+01
OH            4990   15.999000   -0.698000
 -1.4575E+01 -2.8517E+00  1.2045E+01
HO            4991    1.008000    0.433000
 -1.4240E+01 -3.0373E+00  1.2871E+01
HC            4992    1.008000    0.040000
 -1.6521E+01 -3.2578E+00  1.2772E+01
HC            4993    1.008000    0.040000
 -1.5568E+01 -4.7426E+00  1.2345E+01
HC            4994    1.008000    0.040000
 -1.6257E+01 -3.5675E+00  1.1120E+01
CT            4995   12.011000    0.145000
  6.4970E+00  6.9701E-01  3.7478E+00
OH            4996   15.999000   -0.698000
  5.4798E+00  3.4574E-01  4.6155E+00
HO            4997    1.008000    0.433000
  5.7802E+00  7.0053E-01  5.4767E+00
HC            4998    1.008000    0.040000
  7.4532E+00  8.1184E-02  3.8294E+00
HC            4999    1.008000    0.040000
  6.7490E+00  1.7467E+00  3.9105E+00
HC            5000    1.008000    0.040000
  6.1746E+00  6.5737E-01  2.6610E+00
