REAL300031524463.mol2 36                                                        
   1       O    -0.45    -4.27    12.06       5.55       0.07    -4.20     16
   2       C     0.47     1.77     7.15     -10.98      -0.08     1.69     16
   3       C     0.35     0.47     5.47      36.01       0.20     0.67     16
   4       F     0.00     0.05    16.66       2.25       0.04     0.08     16
   5       F    -0.20    -2.16    15.87       2.25       0.04    -2.12     16
   6       F    -0.07    -0.86    13.72       2.25       0.03    -0.83     16
   7       F    -0.29    -3.21    15.88       2.25       0.04    -3.18     16
   8       F    -0.20    -2.56    13.70       2.25       0.03    -2.52     16
   9       N    -0.70    -0.92     5.35     -53.01      -0.28    -1.21     16
  10       C     0.12     0.48     4.24     -67.11      -0.28     0.20     16
  11       C    -0.14    -0.67     7.44     -25.92      -0.19    -0.86     16
  12       C    -0.12    -0.78     3.75     -89.81      -0.34    -1.11     16
  13       C     0.14     1.52     5.51      -4.04      -0.02     1.50     16
  14       N    -0.73   -11.45     5.55     -61.36      -0.34   -11.80     16
  15       C     0.60    13.81     7.81     -12.48      -0.10    13.71     16
  16       O    -0.50   -13.48    15.72     -13.01      -0.20   -13.69     16
  17       C    -0.05    -1.37     6.69     -83.92      -0.56    -1.93     16
  18       N    -0.50   -10.91    10.83      24.03       0.26   -10.65     16
  19       S     0.39     8.41    24.20    -107.50      -2.60     5.81     16
  20       N    -0.60   -16.89    12.18      28.50       0.35   -16.54     16
  21       C     0.38    11.74     8.19     -17.48      -0.14    11.60     16
  22       O    -0.66   -23.58    17.64     -37.35      -0.66   -24.24     16
  23       C    -0.14    -0.62     7.38     -25.92      -0.19    -0.82     16
  24       H     0.18    -0.59     7.65     -51.92      -0.40    -0.99     16
  25       H     0.18    -0.63     7.65     -51.93      -0.40    -1.03     16
  26       H     0.41    -1.01     8.73     -40.82      -0.36    -1.37     16
  27       H     0.13     0.68     7.46     -51.93      -0.39     0.30     16
  28       H     0.08     0.44     8.14     -51.93      -0.42     0.02     16
  29       H     0.09     0.37     8.10     -51.93      -0.42    -0.05     16
  30       H     0.11     0.69     8.14     -51.93      -0.42     0.27     16
  31       H     0.07     0.84     8.14     -51.93      -0.42     0.42     16
  32       H     0.07     0.74     7.84     -51.93      -0.41     0.34     16
  33       H     0.40     5.61     7.96     -40.82      -0.32     5.28     16
  34       H     0.09     0.36     7.87     -51.93      -0.41    -0.05     16
  35       H     0.08     0.40     8.14     -51.93      -0.42    -0.02     16
 Total:         -1.00   -47.56   338.84                 -4.64   -52.20