REAL300031386327.mol2 36                                                        
   1       C    -0.14    -0.81     9.29      37.16       0.35    -0.46     16
   2       C    -0.11    -0.66     3.26     -88.47      -0.29    -0.95     16
   3       H     0.10     0.53     8.01     -51.93      -0.42     0.12     16
   4       C     0.12     0.69     6.38      -2.53      -0.02     0.67     16
   5       N    -0.60    -3.83     3.33    -170.49      -0.57    -4.40     16
   6       C     0.49     3.91     7.17     -10.98      -0.08     3.83     16
   7       O    -0.46    -5.66    12.72       5.56       0.07    -5.59     16
   8       C     0.36     2.30     4.66      36.00       0.17     2.47     16
   9       F    -0.01    -0.10    16.66       2.25       0.04    -0.06     16
  10       F    -0.20    -2.80    15.88       2.25       0.04    -2.76     16
  11       F    -0.08    -1.13    13.71       2.25       0.03    -1.10     16
  12       F    -0.28    -4.05    15.87       2.25       0.04    -4.01     16
  13       F    -0.21    -3.17    13.71       2.25       0.03    -3.13     16
  14       C     0.06     0.38     6.24      -3.04      -0.02     0.36     16
  15       C     0.15     1.33     2.70     -66.07      -0.18     1.15     16
  16       H     0.11     1.15     7.59     -51.93      -0.39     0.76     16
  17       N    -0.72    -9.21     5.13     -53.06      -0.27    -9.48     16
  18       C     0.61    12.02     7.80     -12.48      -0.10    11.92     16
  19       O    -0.50   -11.57    15.45     -13.00      -0.20   -11.77     16
  20       C    -0.06    -1.36     6.69     -83.92      -0.56    -1.92     16
  21       N    -0.50    -9.98    10.83      24.03       0.26    -9.72     16
  22       S     0.40     8.10    24.20    -107.50      -2.60     5.49     16
  23       N    -0.60   -16.00    12.18      28.50       0.35   -15.65     16
  24       C     0.38    11.04     8.19     -17.49      -0.14    10.90     16
  25       O    -0.66   -22.32    17.64     -37.40      -0.66   -22.98     16
  26       H     0.07     0.50     8.14     -51.93      -0.42     0.07     16
  27       H     0.06     0.29     8.14     -51.93      -0.42    -0.13     16
  28       H     0.06     0.36     8.13     -51.93      -0.42    -0.06     16
  29       H     0.09     0.45     8.03     -51.93      -0.42     0.04     16
  30       H     0.09     0.56     8.04     -51.93      -0.42     0.15     16
  31       H     0.18     0.42     7.65     -51.93      -0.40     0.03     16
  32       H     0.19     0.42     7.65     -51.93      -0.40     0.03     16
  33       H     0.09     0.58     8.14     -51.93      -0.42     0.16     16
  34       H     0.09     0.52     8.03     -51.92      -0.42     0.10     16
  35       H     0.41     4.65     8.02     -40.82      -0.33     4.32     16
 Total:         -1.00   -42.42   335.23                 -4.14   -46.56