REAL300033540465.mol2 36                                                        
   1       C    -0.17    -1.46     9.10      37.16       0.34    -1.12     16
   2       C     0.13     1.09     3.21     -66.95      -0.21     0.88     16
   3       H     0.09     0.83     7.72     -51.93      -0.40     0.43     16
   4       C     0.14     1.44     2.84     -66.09      -0.19     1.25     16
   5       H     0.11     1.29     7.25     -51.93      -0.38     0.91     16
   6       N    -0.72   -10.30     5.18     -53.07      -0.27   -10.58     16
   7       C     0.61    12.89     7.81     -12.48      -0.10    12.79     16
   8       O    -0.50   -12.21    15.36     -13.00      -0.20   -12.41     16
   9       C    -0.06    -1.38     6.69     -83.92      -0.56    -1.94     16
  10       N    -0.50   -10.53    10.83      24.03       0.26   -10.27     16
  11       S     0.40     8.39    24.20    -107.50      -2.60     5.79     16
  12       N    -0.60   -16.43    12.18      28.50       0.35   -16.09     16
  13       C     0.38    11.37     8.19     -17.49      -0.14    11.23     16
  14       O    -0.66   -22.82    17.64     -37.39      -0.66   -23.48     16
  15       C    -0.15    -0.98     6.77     -24.58      -0.17    -1.15     16
  16       C     0.08     0.19     6.70      -2.35      -0.02     0.17     16
  17       N    -0.60    -3.21     3.07    -162.76      -0.50    -3.71     16
  18       C     0.48     3.20     6.97     -10.99      -0.08     3.13     16
  19       O    -0.44    -5.17    11.53       5.56       0.06    -5.11     16
  20       C     0.37     1.32     4.48      36.00       0.16     1.48     16
  21       F    -0.04    -0.56    16.66       2.25       0.04    -0.52     16
  22       F    -0.16    -1.77    15.88       2.25       0.04    -1.74     16
  23       F    -0.15    -2.16    13.71       2.25       0.03    -2.12     16
  24       F    -0.28    -3.61    15.87       2.25       0.04    -3.58     16
  25       F    -0.16    -2.18    13.71       2.25       0.03    -2.15     16
  26       H     0.07     0.74     6.91     -51.93      -0.36     0.38     16
  27       H     0.08     0.76     8.14     -51.93      -0.42     0.33     16
  28       H     0.06     0.51     8.14     -51.93      -0.42     0.08     16
  29       H     0.41     5.31     7.86     -40.82      -0.32     4.99     16
  30       H     0.10     0.78     8.14     -51.93      -0.42     0.35     16
  31       H     0.09     0.61     8.14     -51.93      -0.42     0.19     16
  32       H     0.09     0.07     8.14     -51.93      -0.42    -0.36     16
  33       H     0.09    -0.11     7.48     -51.93      -0.39    -0.49     16
  34       H     0.18    -0.31     7.65     -51.93      -0.40    -0.71     16
  35       H     0.18    -0.18     7.35     -51.93      -0.38    -0.56     16
 Total:         -1.00   -44.61   331.51                 -4.10   -48.71