REAL300033686469.mol2 36                                                        
   1       C    -0.17    -1.28     9.29      37.16       0.35    -0.93     16
   2       C     0.15     1.34     2.42     -67.93      -0.16     1.17     16
   3       H     0.09     0.96     7.37     -51.93      -0.38     0.58     16
   4       N    -0.73    -9.86     5.07     -54.85      -0.28   -10.14     16
   5       C     0.61    12.78     7.77     -12.48      -0.10    12.69     16
   6       O    -0.50   -12.39    15.38     -13.01      -0.20   -12.59     16
   7       C    -0.06    -1.36     6.69     -83.92      -0.56    -1.92     16
   8       N    -0.50   -10.43    10.83      24.03       0.26   -10.17     16
   9       S     0.39     8.26    24.20    -107.50      -2.60     5.66     16
  10       N    -0.60   -16.51    12.18      28.50       0.35   -16.16     16
  11       C     0.38    11.41     8.19     -17.49      -0.14    11.26     16
  12       O    -0.66   -23.00    17.64     -37.36      -0.66   -23.66     16
  13       C    -0.13    -0.52     3.50     -89.69      -0.31    -0.83     16
  14       C     0.13     0.73     8.39      -2.97      -0.02     0.71     16
  15       N    -0.64    -2.44     3.61    -178.36      -0.64    -3.09     16
  16       C     0.48     2.85     7.38     -10.99      -0.08     2.77     16
  17       O    -0.45    -5.33    13.19       5.55       0.07    -5.26     16
  18       C     0.38     1.03     5.22      36.01       0.19     1.21     16
  19       F    -0.13    -2.26    16.66       2.25       0.04    -2.22     16
  20       F    -0.21    -2.51    15.88       2.25       0.04    -2.47     16
  21       F    -0.12    -1.64    13.71       2.25       0.03    -1.61     16
  22       F    -0.21    -2.49    15.87       2.25       0.04    -2.46     16
  23       F    -0.12    -1.65    13.71       2.25       0.03    -1.62     16
  24       C     0.09     0.06     7.23      -2.97      -0.02     0.04     16
  25       H     0.06     0.41     8.14     -51.93      -0.42    -0.01     16
  26       H     0.06     0.27     7.43     -51.93      -0.39    -0.12     16
  27       H     0.07     0.83     8.14     -51.93      -0.42     0.40     16
  28       H     0.40     4.86     8.09     -40.82      -0.33     4.53     16
  29       H     0.12     0.38     8.14     -51.93      -0.42    -0.04     16
  30       H     0.10     0.65     8.14     -51.93      -0.42     0.23     16
  31       H     0.10     0.65     7.96     -51.93      -0.41     0.24     16
  32       H     0.18    -0.43     7.65     -51.93      -0.40    -0.83     16
  33       H     0.18    -0.46     7.65     -51.93      -0.40    -0.86     16
  34       H     0.11    -0.05     8.06     -51.93      -0.42    -0.47     16
  35       H     0.10    -0.27     8.14     -51.93      -0.42    -0.69     16
 Total:         -1.00   -47.41   338.92                 -4.14   -51.54