REAL300032369110.mol2 36                                                        
   1       O    -0.44    -5.80    11.27       5.55       0.06    -5.74     16
   2       C     0.47     3.32     6.99     -10.98      -0.08     3.24     16
   3       C     0.38     1.33     4.41      36.01       0.16     1.49     16
   4       F    -0.13    -2.36    16.66       2.25       0.04    -2.32     16
   5       F    -0.22    -2.73    15.88       2.25       0.04    -2.69     16
   6       F    -0.10    -1.64    13.71       2.25       0.03    -1.61     16
   7       F    -0.21    -2.75    15.87       2.25       0.04    -2.71     16
   8       F    -0.12    -1.79    13.71       2.25       0.03    -1.76     16
   9       N    -0.60    -2.85     3.06    -163.02      -0.50    -3.35     16
  10       C     0.08     0.01     6.74      -2.54      -0.02     0.00     16
  11       C    -0.13    -0.13     7.08     -24.58      -0.17    -0.30     16
  12       C    -0.13    -0.60     6.13     -24.90      -0.15    -0.75     16
  13       C     0.14     1.00     2.98     -66.96      -0.20     0.80     16
  14       H     0.10     0.74     8.14     -51.93      -0.42     0.31     16
  15       C     0.11     1.44     5.04      -4.04      -0.02     1.42     16
  16       N    -0.73   -12.07     5.33     -61.36      -0.33   -12.39     16
  17       C     0.61    14.46     7.81     -12.48      -0.10    14.36     16
  18       O    -0.50   -14.04    15.72     -13.00      -0.20   -14.25     16
  19       C    -0.05    -1.33     6.69     -83.92      -0.56    -1.90     16
  20       N    -0.50   -11.08    10.83      24.03       0.26   -10.82     16
  21       S     0.39     8.53    24.20    -107.50      -2.60     5.93     16
  22       N    -0.60   -17.18    12.18      28.50       0.35   -16.83     16
  23       C     0.38    12.00     8.19     -17.49      -0.14    11.86     16
  24       O    -0.66   -24.07    17.64     -37.39      -0.66   -24.73     16
  25       H     0.18    -0.40     7.45     -51.93      -0.39    -0.78     16
  26       H     0.18    -0.29     7.65     -51.93      -0.40    -0.69     16
  27       H     0.09    -0.06     8.14     -51.93      -0.42    -0.48     16
  28       H     0.08    -0.30     7.46     -51.93      -0.39    -0.68     16
  29       H     0.09     0.00     8.14     -51.93      -0.42    -0.43     16
  30       H     0.08     0.04     8.14     -51.93      -0.42    -0.38     16
  31       H     0.09     0.53     7.81     -51.93      -0.41     0.13     16
  32       H     0.10     0.41     8.14     -51.93      -0.42    -0.01     16
  33       H     0.08     1.33     6.59     -51.93      -0.34     0.99     16
  34       H     0.07     0.96     8.07     -51.93      -0.42     0.54     16
  35       H     0.40     5.70     7.84     -40.82      -0.32     5.38     16
 Total:         -1.00   -49.67   331.68                 -4.51   -54.18