REAL300031439063.mol2 36                                                        
   1       O    -0.45    -3.99    12.08       5.55       0.07    -3.92     16
   2       C     0.46     1.43     7.15     -10.98      -0.08     1.35     16
   3       C     0.38     0.14     5.47      36.01       0.20     0.34     16
   4       F    -0.13    -2.03    16.66       2.25       0.04    -1.99     16
   5       F    -0.12    -1.46    13.72       2.25       0.03    -1.43     16
   6       F    -0.20    -2.16    15.87       2.25       0.04    -2.13     16
   7       F    -0.12    -1.48    13.70       2.25       0.03    -1.45     16
   8       F    -0.21    -2.24    15.88       2.25       0.04    -2.20     16
   9       N    -0.69    -0.56     5.26     -53.02      -0.28    -0.84     16
  10       C     0.12     0.44     4.30     -67.12      -0.29     0.15     16
  11       H     0.11     0.58     7.50     -51.93      -0.39     0.19     16
  12       C    -0.14    -0.64     7.44     -25.92      -0.19    -0.83     16
  13       C    -0.12    -0.68     3.64     -89.67      -0.33    -1.01     16
  14       H     0.10     0.39     8.14     -51.93      -0.42    -0.03     16
  15       C     0.13     1.46     5.51      -4.05      -0.02     1.43     16
  16       N    -0.73   -11.03     5.55     -61.36      -0.34   -11.37     16
  17       C     0.60    13.62     7.81     -12.48      -0.10    13.52     16
  18       O    -0.50   -13.45    15.72     -13.01      -0.20   -13.66     16
  19       C    -0.05    -1.32     6.69     -83.92      -0.56    -1.88     16
  20       N    -0.50   -10.60    10.83      24.02       0.26   -10.34     16
  21       S     0.39     8.17    24.20    -107.50      -2.60     5.57     16
  22       N    -0.60   -16.70    12.18      28.49       0.35   -16.35     16
  23       C     0.38    11.64     8.19     -17.49      -0.14    11.50     16
  24       O    -0.66   -23.49    17.64     -37.36      -0.66   -24.15     16
  25       C    -0.14    -0.57     7.39     -25.77      -0.19    -0.76     16
  26       H     0.19    -0.90     7.65     -51.92      -0.40    -1.29     16
  27       H     0.19    -0.87     7.65     -51.93      -0.40    -1.27     16
  28       H     0.41    -1.19     8.71     -40.82      -0.36    -1.55     16
  29       H     0.10     0.53     8.10     -51.93      -0.42     0.11     16
  30       H     0.08     0.35     8.14     -51.93      -0.42    -0.07     16
  31       H     0.07     0.81     7.85     -51.93      -0.41     0.40     16
  32       H     0.07     0.82     8.14     -51.93      -0.42     0.40     16
  33       H     0.40     5.15     7.96     -40.82      -0.32     4.83     16
  34       H     0.08     0.25     8.14     -51.93      -0.42    -0.17     16
  35       H     0.11     0.55     7.91     -51.93      -0.41     0.14     16
 Total:         -1.00   -49.03   338.78                 -4.63   -53.66