REAL300032107896.mol2 38                                                        
   1       C    -0.15    -0.08     9.91      37.16       0.37     0.29     16
   2       C    -0.15    -0.08     6.26     -26.73      -0.17    -0.25     16
   3       C     0.08     0.07     5.21      -4.05      -0.02     0.05     16
   4       N    -0.59    -2.77     2.47    -173.69      -0.43    -3.20     16
   5       C     0.11     0.76     5.52      -4.04      -0.02     0.73     16
   6       C     0.11     1.28     6.00      -4.05      -0.02     1.26     16
   7       N    -0.73   -11.78     5.55     -61.36      -0.34   -12.12     16
   8       C     0.61    14.21     7.81     -12.48      -0.10    14.11     16
   9       O    -0.50   -13.67    15.72     -13.01      -0.20   -13.87     16
  10       C    -0.05    -1.37     6.69     -83.92      -0.56    -1.94     16
  11       N    -0.50   -11.09    10.83      24.03       0.26   -10.83     16
  12       S     0.39     8.60    24.20    -107.50      -2.60     6.00     16
  13       N    -0.60   -17.09    12.18      28.50       0.35   -16.74     16
  14       C     0.38    11.91     8.19     -17.49      -0.14    11.77     16
  15       O    -0.66   -23.84    17.64     -37.38      -0.66   -24.50     16
  16       C     0.47     3.36     7.00     -10.99      -0.08     3.28     16
  17       O    -0.44    -5.65    12.04       5.55       0.07    -5.59     16
  18       C     0.36     1.62     4.02      36.01       0.14     1.76     16
  19       F     0.00     0.06    16.66       2.25       0.04     0.10     16
  20       F    -0.29    -3.83    15.88       2.25       0.04    -3.79     16
  21       F    -0.20    -3.01    13.71       2.25       0.03    -2.98     16
  22       F    -0.21    -2.61    15.88       2.25       0.04    -2.57     16
  23       F    -0.07    -0.97    13.71       2.25       0.03    -0.94     16
  24       H     0.06    -0.02     8.14     -51.93      -0.42    -0.44     16
  25       H     0.06     0.05     8.14     -51.93      -0.42    -0.37     16
  26       H     0.06     0.07     8.14     -51.93      -0.42    -0.36     16
  27       H     0.07     0.00     7.22     -51.93      -0.37    -0.38     16
  28       H     0.08     0.11     8.14     -51.93      -0.42    -0.31     16
  29       H     0.11     0.09     8.07     -51.93      -0.42    -0.33     16
  30       H     0.08    -0.17     6.44     -51.93      -0.33    -0.50     16
  31       H     0.10     0.86     7.42     -51.93      -0.39     0.48     16
  32       H     0.10     0.44     8.07     -51.93      -0.42     0.03     16
  33       H     0.07     0.79     8.14     -51.93      -0.42     0.36     16
  34       H     0.07     1.04     8.14     -51.93      -0.42     0.62     16
  35       H     0.40     5.66     7.96     -40.82      -0.32     5.34     16
  36       H     0.18    -0.01     6.91     -51.93      -0.36    -0.37     16
  37       H     0.17    -0.04     6.69     -51.93      -0.35    -0.38     16
 Total:         -1.00   -47.08   350.71                 -4.21   -51.28