REAL300032639544.mol2 33                                                        
   1       O    -0.44    -5.43    11.85       5.56       0.07    -5.36     16
   2       C     0.47     3.36     6.99     -10.98      -0.08     3.28     16
   3       C     0.35     1.59     5.47      36.01       0.20     1.78     16
   4       F     0.00    -0.03    16.66       2.25       0.04     0.01     16
   5       F    -0.08    -1.11    13.71       2.25       0.03    -1.08     16
   6       F    -0.19    -2.69    15.87       2.25       0.04    -2.65     16
   7       F    -0.30    -3.96    15.88       2.25       0.04    -3.93     16
   8       F    -0.18    -2.93    13.71       2.25       0.03    -2.90     16
   9       N    -0.68    -3.37     4.39     -47.60      -0.21    -3.58     16
  10       C     0.08     0.62     2.18    -131.82      -0.29     0.33     16
  11       C     0.15     1.89     5.90      -4.04      -0.02     1.87     16
  12       N    -0.73   -11.23     5.46     -61.36      -0.33   -11.57     16
  13       C     0.61    13.79     7.81     -12.48      -0.10    13.69     16
  14       O    -0.50   -13.46    15.72     -13.01      -0.20   -13.66     16
  15       C    -0.05    -1.29     6.69     -83.92      -0.56    -1.85     16
  16       N    -0.50   -10.48    10.83      24.02       0.26   -10.22     16
  17       S     0.39     8.18    24.20    -107.50      -2.60     5.58     16
  18       N    -0.60   -16.67    12.18      28.49       0.35   -16.33     16
  19       C     0.38    11.68     8.19     -17.49      -0.14    11.54     16
  20       O    -0.66   -23.56    17.64     -37.39      -0.66   -24.22     16
  21       C    -0.16    -0.79    10.10     -26.74      -0.27    -1.06     16
  22       C    -0.15    -0.95     9.22     -26.74      -0.25    -1.20     16
  23       H     0.18    -0.20     7.65     -51.93      -0.40    -0.60     16
  24       H     0.18     0.14     7.65     -51.93      -0.40    -0.26     16
  25       H     0.41     0.43     8.66     -40.82      -0.35     0.08     16
  26       H     0.09     1.06     7.90     -51.93      -0.41     0.65     16
  27       H     0.08     1.13     8.14     -51.93      -0.42     0.71     16
  28       H     0.40     4.98     6.97     -40.82      -0.28     4.70     16
  29       H     0.11     0.58     8.06     -51.92      -0.42     0.16     16
  30       H     0.11     0.32     8.14     -51.93      -0.42    -0.10     16
  31       H     0.11     0.69     8.14     -51.93      -0.42     0.26     16
  32       H     0.11     0.76     8.14     -51.93      -0.42     0.33     16
 Total:         -1.00   -46.97   320.10                 -3.80   -50.78