REAL300031997766.mol2 33                                                        
   1       O    -0.51   -10.74    12.19      -3.04      -0.04   -10.78     16
   2       C     0.46     2.87     7.15      87.66       0.63     3.49     16
   3       C     0.37    -0.75     5.47      71.24       0.39    -0.36     16
   4       F    -0.23    -8.25    16.66      44.97       0.75    -7.50     16
   5       F    -0.13    -3.34    13.72      44.97       0.62    -2.73     16
   6       F    -0.18    -3.89    15.87      44.97       0.71    -3.18     16
   7       F    -0.14    -3.95    13.70      44.97       0.62    -3.33     16
   8       F    -0.18    -3.42    15.88      44.97       0.71    -2.71     16
   9       N    -0.68    -0.35     5.13    -436.91      -2.24    -2.59     16
  10       C     0.16     1.61     3.24      46.18       0.15     1.76     16
  11       C    -0.11    -0.69     6.69      31.99       0.21    -0.47     16
  12       C     0.09     1.88     6.04      86.86       0.52     2.41     16
  13       N    -0.61   -19.46     3.33    -815.57      -2.71   -22.17     16
  14       C     0.61    29.53     7.84      86.69       0.68    30.21     16
  15       O    -0.56   -33.27    16.05      13.50       0.22   -33.05     16
  16       C    -0.08    -4.14     6.62      41.98       0.28    -3.86     16
  17       N    -0.45   -18.03     8.03     -77.90      -0.63   -18.65     16
  18       S     0.51    19.82    24.20     -56.49      -1.37    18.45     16
  19       N    -0.64   -36.06    12.18    -177.22      -2.16   -38.21     16
  20       C     0.35    22.30     8.19      85.12       0.70    23.00     16
  21       O    -0.73   -56.16    17.64     -73.68      -1.30   -57.46     16
  22       C     0.09     2.18     6.62      86.73       0.57     2.75     16
  23       H     0.24    -3.25     7.65      -2.38      -0.02    -3.27     16
  24       H     0.26    -4.16     7.65      -2.39      -0.02    -4.18     16
  25       H     0.44    -4.59     8.52     -92.71      -0.79    -5.38     16
  26       H     0.11     1.40     7.69      -2.39      -0.02     1.38     16
  27       H     0.13    -0.04     8.14      -2.39      -0.02    -0.06     16
  28       H     0.11     0.17     8.00      -2.39      -0.02     0.15     16
  29       H     0.07     1.47     8.14      -2.39      -0.02     1.45     16
  30       H     0.10     2.25     6.01      -2.39      -0.01     2.24     16
  31       H     0.07     1.73     8.03      -2.39      -0.02     1.71     16
  32       H     0.05     1.42     8.14      -2.39      -0.02     1.40     16
 Total:         -1.00  -125.91   310.40                 -3.64  -129.55