REAL300032247265.mol2 34                                                        
   1       O    -0.49   -34.88    12.83      -3.04      -0.04   -34.92     16
   2       C     0.50    28.76     7.22      87.66       0.63    29.39     16
   3       C     0.41    29.21     4.75      71.24       0.34    29.55     16
   4       F    -0.32   -39.45    16.66      44.97       0.75   -38.70     16
   5       F    -0.65   -73.20    15.87      44.97       0.71   -72.49     16
   6       F    -0.50   -54.71    13.72      44.97       0.62   -54.09     16
   7       F    -0.66   -75.48    15.88      44.97       0.71   -74.77     16
   8       F    -0.52   -55.05    13.70      44.97       0.62   -54.43     16
   9       N    -0.63   -19.33     2.96    -767.65      -2.27   -21.60     16
  10       C     0.05     0.95     6.00      87.16       0.52     1.48     16
  11       C     0.15     0.54     5.23      46.93       0.25     0.78     16
  12       H     0.19    -0.31     8.09      -2.39      -0.02    -0.33     16
  13       C    -0.12    -0.48     6.84      33.59       0.23    -0.25     16
  14       C     0.10     1.53     5.23      47.06       0.25     1.77     16
  15       H     0.13     2.45     8.08      -2.39      -0.02     2.43     16
  16       C     0.09     0.16     4.91      86.86       0.43     0.59     16
  17       N    -0.56     0.12     3.00    -768.05      -2.30    -2.18     16
  18       C     0.57    -1.98     7.90      86.69       0.68    -1.30     16
  19       O    -0.49    -1.80    16.13      13.49       0.22    -1.59     16
  20       C     0.30    -4.12     6.64      41.98       0.28    -3.84     16
  21       N    -0.63    12.58     8.61     -77.88      -0.67    11.91     16
  22       S     1.46   -45.34    24.20     -56.49      -1.37   -46.71     16
  23       N    -0.50    10.74    12.18    -177.22      -2.16     8.59     16
  24       C     0.37    -5.30     8.19      85.12       0.70    -4.61     16
  25       O    -0.16     0.67    17.64     -73.75      -1.30    -0.63     16
  26       H     0.12     7.83     7.65      -2.38      -0.02     7.81     16
  27       H     0.12     7.91     7.65      -2.39      -0.02     7.89     16
  28       H     0.10     1.77     8.14      -2.39      -0.02     1.75     16
  29       H     0.08     1.42     8.14      -2.39      -0.02     1.40     16
  30       H     0.10     0.79     8.14      -2.39      -0.02     0.77     16
  31       H     0.15    -0.74     8.14      -2.39      -0.02    -0.76     16
  32       H     0.09     0.52     7.82      -2.39      -0.02     0.50     16
  33       H     0.16    -1.56     7.60      -2.39      -0.02    -1.58     16
 Total:         -1.00  -305.81   315.73                 -2.37  -308.18