REAL300032587851.mol2 35                                                        
   1       C     0.05    -0.11    10.24      59.85       0.61     0.50     16
   2       N    -0.60    -1.51     2.87    -181.57      -0.52    -2.03     16
   3       C     0.12     0.58     5.41      -4.04      -0.02     0.56     16
   4       C    -0.15    -1.11     5.65     -26.73      -0.15    -1.26     16
   5       C     0.13     1.56     5.67      -4.04      -0.02     1.54     16
   6       N    -0.73   -12.41     5.55     -61.35      -0.34   -12.75     16
   7       C     0.61    14.49     7.81     -12.48      -0.10    14.39     16
   8       O    -0.50   -13.93    15.72     -13.01      -0.20   -14.13     16
   9       C    -0.05    -1.40     6.69     -83.92      -0.56    -1.96     16
  10       N    -0.50   -11.39    10.83      24.03       0.26   -11.13     16
  11       S     0.39     8.70    24.20    -107.50      -2.60     6.10     16
  12       N    -0.60   -17.30    12.18      28.50       0.35   -16.95     16
  13       C     0.38    12.05     8.19     -17.49      -0.14    11.91     16
  14       O    -0.66   -24.03    17.64     -37.35      -0.66   -24.69     16
  15       C     0.46     2.43     7.00     -10.99      -0.08     2.35     16
  16       O    -0.43    -4.86    12.04       5.55       0.07    -4.79     16
  17       C     0.37     0.88     4.02      36.01       0.14     1.02     16
  18       F    -0.03    -0.48    16.66       2.25       0.04    -0.45     16
  19       F    -0.16    -1.70    15.87       2.25       0.04    -1.66     16
  20       F    -0.15    -2.09    13.71       2.25       0.03    -2.06     16
  21       F    -0.16    -2.17    13.71       2.25       0.03    -2.14     16
  22       F    -0.28    -3.48    15.88       2.25       0.04    -3.45     16
  23       H     0.08    -0.29     8.14     -51.93      -0.42    -0.72     16
  24       H     0.07    -0.36     6.44     -51.93      -0.33    -0.69     16
  25       H     0.10    -0.21     8.07     -51.93      -0.42    -0.63     16
  26       H     0.10     0.67     7.42     -51.93      -0.39     0.29     16
  27       H     0.10     0.26     8.07     -51.93      -0.42    -0.16     16
  28       H     0.08     0.44     8.14     -51.93      -0.42     0.02     16
  29       H     0.08     0.72     8.14     -51.93      -0.42     0.29     16
  30       H     0.07     0.93     8.14     -51.93      -0.42     0.51     16
  31       H     0.07     0.81     8.14     -51.93      -0.42     0.38     16
  32       H     0.40     6.13     7.96     -40.82      -0.32     5.80     16
  33       H     0.18    -0.39     6.90     -51.93      -0.36    -0.75     16
  34       H     0.18    -0.56     7.61     -51.93      -0.40    -0.96     16
 Total:         -1.00   -49.15   330.74                 -3.57   -52.72