REAL300032601363.mol2 36                                                        
   1       O    -0.44    -4.43     9.45       5.55       0.05    -4.37     16
   2       C     0.46     2.48     5.83     -10.98      -0.06     2.42     16
   3       C     0.38     1.16     5.47      36.01       0.20     1.35     16
   4       F    -0.13    -2.33    16.66       2.25       0.04    -2.29     16
   5       F    -0.21    -2.58    15.87       2.25       0.04    -2.54     16
   6       F    -0.11    -1.60    13.72       2.25       0.03    -1.57     16
   7       F    -0.20    -2.62    15.88       2.25       0.04    -2.58     16
   8       F    -0.13    -1.67    13.70       2.25       0.03    -1.64     16
   9       N    -0.71    -2.79     3.18     -53.80      -0.17    -2.96     16
  10       C     0.17     1.13     2.57     -67.93      -0.17     0.96     16
  11       C     0.12     1.10     5.19      -4.04      -0.02     1.08     16
  12       N    -0.74    -9.87     5.38     -61.36      -0.33   -10.20     16
  13       C     0.61    12.67     7.81     -12.48      -0.10    12.57     16
  14       O    -0.50   -12.40    15.72     -13.00      -0.20   -12.61     16
  15       C    -0.06    -1.35     6.69     -83.92      -0.56    -1.91     16
  16       N    -0.50   -10.23    10.83      24.03       0.26    -9.97     16
  17       S     0.40     8.21    24.20    -107.50      -2.60     5.60     16
  18       N    -0.60   -16.30    12.18      28.50       0.35   -15.96     16
  19       C     0.38    11.29     8.19     -17.49      -0.14    11.15     16
  20       O    -0.66   -22.85    17.64     -37.38      -0.66   -23.51     16
  21       C    -0.17    -1.03     5.74     -90.62      -0.52    -1.55     16
  22       C    -0.17    -0.94     9.68     -26.73      -0.26    -1.20     16
  23       C    -0.18    -1.29     9.85     -26.73      -0.26    -1.56     16
  24       H     0.19    -0.41     7.65     -51.92      -0.40    -0.81     16
  25       H     0.19    -0.21     7.65     -51.93      -0.40    -0.61     16
  26       H     0.41     0.52     8.60     -40.82      -0.35     0.16     16
  27       H     0.11     0.88     7.58     -51.93      -0.39     0.49     16
  28       H     0.08     0.71     8.14     -51.93      -0.42     0.29     16
  29       H     0.09     0.93     8.14     -51.93      -0.42     0.51     16
  30       H     0.40     4.76     7.63     -40.82      -0.31     4.45     16
  31       H     0.12     0.69     8.07     -51.93      -0.42     0.27     16
  32       H     0.10     0.49     8.14     -51.93      -0.42     0.07     16
  33       H     0.09     0.34     6.40     -51.93      -0.33     0.01     16
  34       H     0.12     1.09     5.26     -51.93      -0.27     0.82     16
  35       H     0.09     0.65     8.14     -51.93      -0.42     0.23     16
 Total:         -1.00   -45.77   332.82                 -4.59   -50.36