REAL300033805230.mol2 34                                                        
   1       O    -0.44    -5.61    10.46       5.55       0.06    -5.55     16
   2       C     0.47     3.96     6.66     -10.99      -0.07     3.89     16
   3       C     0.37     2.15     5.47      36.01       0.20     2.35     16
   4       F    -0.04    -0.66    16.66       2.25       0.04    -0.63     16
   5       F    -0.15    -2.20    15.88       2.25       0.04    -2.16     16
   6       F    -0.16    -2.51    13.71       2.25       0.03    -2.48     16
   7       F    -0.30    -4.35    15.87       2.25       0.04    -4.31     16
   8       F    -0.14    -2.26    13.71       2.25       0.03    -2.23     16
   9       N    -0.68    -4.59     5.10     -49.08      -0.25    -4.84     16
  10       C     0.14     1.20     0.83    -134.04      -0.11     1.09     16
  11       C     0.08     0.51     6.45      37.16       0.24     0.75     16
  12       O    -0.57    -3.19    13.54     -35.23      -0.48    -3.67     16
  13       C     0.12     1.26     8.17      -2.98      -0.02     1.24     16
  14       N    -0.65   -10.21     3.61    -179.42      -0.65   -10.86     16
  15       C     0.63    14.44     8.04     -12.48      -0.10    14.34     16
  16       O    -0.50   -13.20    16.45     -13.01      -0.21   -13.41     16
  17       C    -0.06    -1.43     6.68     -83.92      -0.56    -1.99     16
  18       N    -0.49   -11.01     9.34      24.03       0.22   -10.79     16
  19       S     0.40     8.93    24.20    -107.50      -2.60     6.33     16
  20       N    -0.60   -17.04    12.18      28.49       0.35   -16.70     16
  21       C     0.38    11.79     8.19     -17.49      -0.14    11.65     16
  22       O    -0.66   -23.57    17.64     -37.38      -0.66   -24.23     16
  23       C     0.12     1.59     6.51      -2.98      -0.02     1.57     16
  24       H     0.18     0.35     7.65     -51.93      -0.40    -0.05     16
  25       H     0.18     0.08     7.65     -51.93      -0.40    -0.31     16
  26       H     0.41     1.38     8.77     -40.82      -0.36     1.03     16
  27       H     0.07     0.35     8.09     -51.93      -0.42    -0.07     16
  28       H     0.07     0.50     7.56     -51.92      -0.39     0.11     16
  29       H     0.38     0.75     9.12      45.56       0.42     1.16     16
  30       H     0.10     0.87     8.06     -51.93      -0.42     0.45     16
  31       H     0.09     0.85     8.13     -51.93      -0.42     0.43     16
  32       H     0.11     1.65     5.98     -51.93      -0.31     1.34     16
  33       H     0.10     1.09     8.10     -51.93      -0.42     0.67     16
 Total:         -1.00   -48.11   324.44                 -2.88   -50.99