REAL300033776136.mol2 36                                                        
   1       C    -0.14    -0.40     8.75      37.16       0.33    -0.08     16
   2       C    -0.11    -0.60     3.41     -88.78      -0.30    -0.90     16
   3       H     0.11     0.51     8.14     -51.93      -0.42     0.09     16
   4       C     0.11     1.11     6.46      -3.07      -0.02     1.09     16
   5       N    -0.62    -9.37     3.33    -171.62      -0.57    -9.94     16
   6       C     0.62    13.86     7.84     -12.48      -0.10    13.76     16
   7       O    -0.50   -13.07    16.05     -13.00      -0.21   -13.28     16
   8       C    -0.06    -1.38     6.62     -83.92      -0.56    -1.93     16
   9       N    -0.49   -10.69     8.04      24.03       0.19   -10.50     16
  10       S     0.40     8.69    24.20    -107.50      -2.60     6.08     16
  11       N    -0.60   -16.85    12.18      28.49       0.35   -16.50     16
  12       C     0.38    11.66     8.19     -17.49      -0.14    11.52     16
  13       O    -0.66   -23.43    17.64     -37.38      -0.66   -24.09     16
  14       C     0.10     1.18     5.72      -2.41      -0.01     1.17     16
  15       C     0.14     0.97     3.10     -65.66      -0.20     0.76     16
  16       H     0.12     0.81     7.73     -51.93      -0.40     0.41     16
  17       N    -0.69    -3.44     4.69     -51.62      -0.24    -3.68     16
  18       C     0.47     3.22     7.15     -10.99      -0.08     3.15     16
  19       O    -0.45    -5.44    12.21       5.56       0.07    -5.37     16
  20       C     0.39     1.63     5.47      36.01       0.20     1.83     16
  21       F    -0.14    -2.79    16.66       2.25       0.04    -2.75     16
  22       F    -0.22    -3.03    15.87       2.25       0.04    -2.99     16
  23       F    -0.10    -1.71    13.71       2.25       0.03    -1.68     16
  24       F    -0.13    -1.98    13.71       2.25       0.03    -1.95     16
  25       F    -0.20    -2.97    15.88       2.25       0.04    -2.93     16
  26       H     0.05     0.08     6.28     -51.93      -0.33    -0.25     16
  27       H     0.07     0.20     8.14     -51.93      -0.42    -0.22     16
  28       H     0.07     0.15     8.14     -51.93      -0.42    -0.27     16
  29       H     0.07     0.79     8.14     -51.93      -0.42     0.36     16
  30       H     0.07     0.64     7.80     -51.93      -0.41     0.24     16
  31       H     0.08     1.00     8.14     -51.93      -0.42     0.58     16
  32       H     0.11     1.68     6.03     -51.93      -0.31     1.37     16
  33       H     0.41     0.72     6.82     -40.82      -0.28     0.44     16
  34       H     0.19     0.05     7.65     -51.93      -0.40    -0.35     16
  35       H     0.19    -0.36     7.65     -51.93      -0.40    -0.75     16
 Total:         -1.00   -48.57   327.53                 -4.09   -52.66