REAL300031876156.mol2 33                                                        
   1       O    -0.44    -4.85    12.15       5.55       0.07    -4.78     16
   2       C     0.46     2.23     7.15     -10.98      -0.08     2.16     16
   3       C     0.38     0.65     5.47      36.01       0.20     0.84     16
   4       F    -0.13    -2.21    16.66       2.25       0.04    -2.17     16
   5       F    -0.20    -2.45    15.87       2.25       0.04    -2.41     16
   6       F    -0.12    -1.64    13.72       2.25       0.03    -1.61     16
   7       F    -0.22    -2.52    15.88       2.25       0.04    -2.49     16
   8       F    -0.11    -1.56    13.70       2.25       0.03    -1.53     16
   9       N    -0.70    -1.92     5.11     -52.03      -0.27    -2.18     16
  10       C     0.14     0.95     3.27     -66.09      -0.22     0.74     16
  11       H     0.12     0.90     7.62     -51.93      -0.40     0.50     16
  12       C    -0.14    -0.82     6.71     -24.58      -0.16    -0.99     16
  13       C     0.11     1.29     6.03      -2.53      -0.02     1.27     16
  14       N    -0.62   -10.06     3.33    -171.52      -0.57   -10.63     16
  15       C     0.62    14.43     7.84     -12.48      -0.10    14.33     16
  16       O    -0.50   -13.70    16.05     -13.00      -0.21   -13.90     16
  17       C    -0.05    -1.20     6.62     -83.92      -0.56    -1.76     16
  18       N    -0.49   -10.31     8.03      24.03       0.19   -10.11     16
  19       S     0.39     8.03    24.20    -107.50      -2.60     5.43     16
  20       N    -0.60   -16.58    12.18      28.50       0.35   -16.23     16
  21       C     0.38    11.66     8.19     -17.49      -0.14    11.52     16
  22       O    -0.66   -23.54    17.64     -37.37      -0.66   -24.20     16
  23       C     0.10     1.22     6.65      -2.90      -0.02     1.20     16
  24       H     0.19    -0.60     7.65     -51.92      -0.40    -0.99     16
  25       H     0.19    -0.74     7.65     -51.93      -0.40    -1.14     16
  26       H     0.41    -0.70     8.54     -40.82      -0.35    -1.04     16
  27       H     0.09     0.36     8.14     -51.93      -0.42    -0.07     16
  28       H     0.08     0.37     8.01     -51.92      -0.42    -0.05     16
  29       H     0.07     0.81     8.14     -51.93      -0.42     0.39     16
  30       H     0.11     1.46     6.01     -51.93      -0.31     1.15     16
  31       H     0.07     0.84     8.02     -51.93      -0.42     0.43     16
  32       H     0.08     1.10     8.14     -51.93      -0.42     0.68     16
 Total:         -1.00   -49.08   310.37                 -3.90   -52.97