REAL300030986181.mol2 36                                                        
   1       C    -0.17    -1.48     9.44      37.16       0.35    -1.13     16
   2       C     0.15     1.38     2.29     -67.93      -0.16     1.22     16
   3       N    -0.73    -9.35     4.94     -54.85      -0.27    -9.62     16
   4       C     0.61    12.35     7.77     -12.48      -0.10    12.26     16
   5       O    -0.50   -12.16    15.38     -13.00      -0.20   -12.36     16
   6       C    -0.06    -1.30     6.69     -83.92      -0.56    -1.86     16
   7       N    -0.50    -9.98    10.83      24.02       0.26    -9.72     16
   8       S     0.39     7.95    24.20    -107.50      -2.60     5.35     16
   9       N    -0.60   -16.15    12.18      28.50       0.35   -15.80     16
  10       C     0.38    11.16     8.19     -17.49      -0.14    11.01     16
  11       O    -0.66   -22.67    17.64     -37.37      -0.66   -23.33     16
  12       C    -0.13    -0.57     3.36     -89.70      -0.30    -0.87     16
  13       C     0.13     0.59     8.30      -2.98      -0.02     0.57     16
  14       N    -0.63    -2.91     3.61    -178.35      -0.64    -3.56     16
  15       C     0.49     3.34     7.38     -10.99      -0.08     3.25     16
  16       O    -0.46    -5.45    13.19       5.56       0.07    -5.37     16
  17       C     0.36     1.63     5.22      36.00       0.19     1.82     16
  18       F     0.00    -0.03    16.66       2.25       0.04     0.01     16
  19       F    -0.28    -3.75    15.88       2.25       0.04    -3.71     16
  20       F    -0.20    -2.95    13.71       2.25       0.03    -2.91     16
  21       F    -0.20    -2.54    15.87       2.25       0.04    -2.51     16
  22       F    -0.08    -1.04    13.71       2.25       0.03    -1.01     16
  23       C     0.09     0.29     8.05      -2.97      -0.02     0.26     16
  24       H     0.06     0.48     8.14     -51.93      -0.42     0.06     16
  25       H     0.07     0.88     8.14     -51.93      -0.42     0.46     16
  26       H     0.06     0.42     8.09     -51.93      -0.42     0.00     16
  27       H     0.09     0.97     7.48     -51.93      -0.39     0.59     16
  28       H     0.40     4.43     8.09     -40.82      -0.33     4.09     16
  29       H     0.12     0.40     8.14     -51.93      -0.42    -0.02     16
  30       H     0.10     0.42     8.14     -51.93      -0.42     0.00     16
  31       H     0.10     0.42     8.03     -51.92      -0.42     0.01     16
  32       H     0.18     0.05     7.65     -51.93      -0.40    -0.35     16
  33       H     0.17     0.00     7.65     -51.93      -0.40    -0.40     16
  34       H     0.11     0.40     8.10     -51.92      -0.42    -0.02     16
  35       H     0.10     0.07     8.14     -51.93      -0.42    -0.35     16
 Total:         -1.00   -44.68   340.27                 -4.13   -48.81