REAL300031727455.mol2 36                                                        
   1       O    -0.44    -6.28    12.13       5.55       0.07    -6.21     16
   2       C     0.46     3.38     7.12     -10.99      -0.08     3.30     16
   3       C     0.36     1.36     5.47      36.00       0.20     1.56     16
   4       F     0.01     0.10    16.66       2.25       0.04     0.13     16
   5       F    -0.06    -0.94    13.71       2.25       0.03    -0.91     16
   6       F    -0.21    -2.71    15.87       2.25       0.04    -2.67     16
   7       F    -0.29    -4.01    15.88       2.25       0.04    -3.97     16
   8       F    -0.20    -3.14    13.71       2.25       0.03    -3.10     16
   9       N    -0.70    -3.11     5.08     -53.69      -0.27    -3.38     16
  10       C     0.13     1.21     2.60     -67.81      -0.18     1.03     16
  11       C    -0.12    -0.79     5.35     -26.69      -0.14    -0.94     16
  12       C    -0.12    -1.18     6.08     -26.61      -0.16    -1.34     16
  13       C     0.06     0.79     6.27      -3.71      -0.02     0.77     16
  14       N    -0.61   -10.38     2.97    -174.01      -0.52   -10.90     16
  15       C     0.61    14.48     7.66     -12.48      -0.10    14.39     16
  16       O    -0.49   -13.97    15.20     -12.84      -0.20   -14.17     16
  17       C    -0.04    -1.11     6.54     -83.92      -0.55    -1.65     16
  18       N    -0.49   -10.35     7.41      24.03       0.18   -10.17     16
  19       S     0.38     7.94    24.20    -107.50      -2.60     5.34     16
  20       N    -0.59   -16.58    12.18      28.50       0.35   -16.24     16
  21       C     0.38    11.80     8.18     -17.49      -0.14    11.66     16
  22       O    -0.65   -23.80    17.66     -37.21      -0.66   -24.45     16
  23       C     0.11     1.38     5.98      -3.71      -0.02     1.36     16
  24       H     0.18    -0.22     7.65     -51.93      -0.40    -0.62     16
  25       H     0.17    -0.27     7.65     -51.93      -0.40    -0.67     16
  26       H     0.41    -0.33     8.60     -40.82      -0.35    -0.68     16
  27       H     0.10     1.27     7.58     -51.93      -0.39     0.87     16
  28       H     0.07     0.33     8.14     -51.93      -0.42    -0.09     16
  29       H     0.07     0.33     8.14     -51.93      -0.42    -0.10     16
  30       H     0.07     0.81     8.14     -51.93      -0.42     0.38     16
  31       H     0.08     0.59     8.14     -51.93      -0.42     0.17     16
  32       H     0.17     2.63     3.55     -92.23      -0.33     2.30     16
  33       H     0.05     0.62     8.14     -51.93      -0.42     0.20     16
  34       H     0.07     0.69     8.14     -51.93      -0.42     0.26     16
  35       H     0.10     1.65     7.06     -51.93      -0.37     1.28     16
 Total:         -1.00   -47.80   324.86                 -4.55   -52.35