REAL300031708238.mol2 36                                                        
   1       O    -0.45    -4.95    12.13       5.56       0.07    -4.89     16
   2       C     0.46     2.53     7.12     -10.99      -0.08     2.45     16
   3       C     0.36     0.93     5.47      36.00       0.20     1.12     16
   4       F     0.00     0.00    16.66       2.25       0.04     0.04     16
   5       F    -0.07    -0.92    13.71       2.25       0.03    -0.89     16
   6       F    -0.20    -2.41    15.87       2.25       0.04    -2.37     16
   7       F    -0.20    -2.69    13.71       2.25       0.03    -2.66     16
   8       F    -0.29    -3.56    15.88       2.25       0.04    -3.52     16
   9       N    -0.70    -2.48     5.08     -53.77      -0.27    -2.75     16
  10       C     0.15     1.09     2.41     -67.89      -0.16     0.93     16
  11       C    -0.14    -1.38     5.65     -26.61      -0.15    -1.53     16
  12       C     0.12     1.55     6.43      -3.71      -0.02     1.53     16
  13       N    -0.61    -9.96     2.97    -174.00      -0.52   -10.47     16
  14       C     0.60    13.69     7.68     -12.48      -0.10    13.59     16
  15       O    -0.50   -13.36    15.17     -12.76      -0.19   -13.55     16
  16       C    -0.04    -1.04     6.56     -83.92      -0.55    -1.59     16
  17       N    -0.49    -9.86     7.33      24.02       0.18    -9.68     16
  18       S     0.38     7.56    24.20    -107.50      -2.60     4.96     16
  19       N    -0.59   -15.93    12.18      28.50       0.35   -15.58     16
  20       C     0.38    11.33     8.18     -17.48      -0.14    11.19     16
  21       O    -0.66   -22.98    17.66     -37.13      -0.66   -23.63     16
  22       C     0.07     0.84     6.24      -3.71      -0.02     0.82     16
  23       C    -0.14    -1.11     5.55     -26.62      -0.15    -1.26     16
  24       H     0.18    -0.40     7.65     -51.93      -0.40    -0.80     16
  25       H     0.18    -0.39     7.65     -51.93      -0.40    -0.78     16
  26       H     0.41    -0.19     8.60     -40.82      -0.35    -0.54     16
  27       H     0.10     0.88     7.58     -51.93      -0.39     0.49     16
  28       H     0.08     0.76     8.14     -51.93      -0.42     0.33     16
  29       H     0.07     0.72     8.14     -51.93      -0.42     0.30     16
  30       H     0.07     0.81     8.14     -51.93      -0.42     0.38     16
  31       H     0.10     1.49     7.01     -51.93      -0.36     1.13     16
  32       H     0.06     0.70     8.14     -51.93      -0.42     0.28     16
  33       H     0.17     2.55     3.53     -94.78      -0.34     2.21     16
  34       H     0.07     0.62     8.14     -51.93      -0.42     0.20     16
  35       H     0.08     0.48     8.14     -51.93      -0.42     0.05     16
 Total:         -1.00   -45.05   324.72                 -4.54   -49.60