REAL300032853570.mol2 36                                                        
   1       O    -0.45    -6.93    12.46       5.55       0.07    -6.86     16
   2       C     0.46     4.69     7.15     -10.99      -0.08     4.61     16
   3       C     0.36     2.57     5.47      36.00       0.20     2.76     16
   4       F    -0.01    -0.16    16.66       2.25       0.04    -0.12     16
   5       F    -0.30    -4.59    15.87       2.25       0.04    -4.55     16
   6       F    -0.18    -3.23    13.71       2.25       0.03    -3.20     16
   7       F    -0.20    -3.17    15.88       2.25       0.04    -3.13     16
   8       F    -0.08    -1.27    13.71       2.25       0.03    -1.24     16
   9       N    -0.70    -5.69     5.38     -60.29      -0.32    -6.01     16
  10       C     0.12     1.29     4.89      -4.04      -0.02     1.27     16
  11       C     0.14     1.41     0.64    -131.00      -0.08     1.32     16
  12       N    -0.72    -9.22     4.51     -47.88      -0.22    -9.44     16
  13       C     0.61    12.24     7.36     -12.48      -0.09    12.15     16
  14       O    -0.49   -11.84    13.75     -13.00      -0.18   -12.02     16
  15       C    -0.06    -1.33     6.69     -83.92      -0.56    -1.89     16
  16       N    -0.50    -9.79    10.84      24.02       0.26    -9.53     16
  17       S     0.40     7.94    24.20    -107.50      -2.60     5.34     16
  18       N    -0.60   -16.17    12.18      28.50       0.35   -15.82     16
  19       C     0.38    11.19     8.19     -17.48      -0.14    11.05     16
  20       O    -0.66   -22.85    17.64     -37.37      -0.66   -23.51     16
  21       C    -0.14    -0.83     7.36     -25.92      -0.19    -1.02     16
  22       C    -0.14    -1.08     7.99     -25.92      -0.21    -1.29     16
  23       C    -0.13    -1.43     6.97     -25.91      -0.18    -1.61     16
  24       H     0.18     0.23     7.65     -51.93      -0.40    -0.17     16
  25       H     0.18     0.68     7.65     -51.93      -0.40     0.28     16
  26       H     0.41     2.02     8.09     -40.82      -0.33     1.69     16
  27       H     0.09     0.74     7.92     -51.93      -0.41     0.33     16
  28       H     0.10     1.48     7.28     -51.92      -0.38     1.10     16
  29       H     0.41     4.39     8.16     -40.82      -0.33     4.05     16
  30       H     0.08     0.37     8.09     -51.93      -0.42    -0.05     16
  31       H     0.10     0.45     7.95     -51.93      -0.41     0.04     16
  32       H     0.08     0.73     8.14     -51.93      -0.42     0.31     16
  33       H     0.07     0.47     8.14     -51.93      -0.42     0.05     16
  34       H     0.09     0.84     8.10     -51.93      -0.42     0.42     16
  35       H     0.09     1.24     7.30     -51.93      -0.38     0.86     16
 Total:         -1.00   -44.62   333.96                 -4.19   -48.81