REAL300033652565.mol2 33                                                        
   1       C    -0.15    -0.14     9.12      71.98       0.66     0.52     16
   2       C     0.16     1.22     1.23       5.36       0.01     1.22     16
   3       N    -0.65    -1.13     5.33    -430.72      -2.30    -3.42     16
   4       C     0.55    -1.13     7.57      86.69       0.66    -0.47     16
   5       O    -0.47    -1.83    13.33      13.45       0.18    -1.65     16
   6       C     0.30    -3.80     6.69      41.98       0.28    -3.52     16
   7       N    -0.63    11.82    10.83     -77.91      -0.84    10.97     16
   8       S     1.46   -44.42    24.20     -56.49      -1.37   -45.79     16
   9       N    -0.49    10.45    12.18    -177.23      -2.16     8.29     16
  10       C     0.37    -5.07     8.19      85.12       0.70    -4.37     16
  11       O    -0.15     0.64    17.64     -73.71      -1.30    -0.66     16
  12       C     0.10     2.12     8.19      86.48       0.71     2.83     16
  13       N    -0.66   -21.93     3.61    -836.04      -3.02   -24.94     16
  14       C     0.50    29.64     7.38      87.66       0.65    30.28     16
  15       O    -0.50   -38.33    13.19      -3.02      -0.04   -38.37     16
  16       C     0.41    29.04     5.22      71.24       0.37    29.41     16
  17       F    -0.32   -39.54    16.66      44.97       0.75   -38.79     16
  18       F    -0.64   -69.85    15.88      44.97       0.71   -69.13     16
  19       F    -0.52   -57.68    13.71      44.97       0.62   -57.06     16
  20       F    -0.52   -55.85    13.71      44.97       0.62   -55.24     16
  21       F    -0.66   -73.94    15.87      44.97       0.71   -73.23     16
  22       C     0.09     1.21     7.89      86.48       0.68     1.89     16
  23       H     0.09     0.11     7.94      -2.39      -0.02     0.09     16
  24       H     0.09     0.20     5.54      -2.39      -0.01     0.19     16
  25       H     0.10    -0.40     8.14      -2.39      -0.02    -0.42     16
  26       H     0.43    -0.50     8.11     -92.71      -0.75    -1.25     16
  27       H     0.07     1.62     8.14      -2.39      -0.02     1.60     16
  28       H     0.12     2.13     7.96      -2.39      -0.02     2.11     16
  29       H     0.13     7.97     7.65      -2.39      -0.02     7.95     16
  30       H     0.14     8.20     7.65      -2.39      -0.02     8.19     16
  31       H     0.14     1.20     8.10      -2.38      -0.02     1.18     16
  32       H     0.12     0.98     8.10      -2.38      -0.02     0.96     16
 Total:         -1.00  -306.99   314.94                 -3.64  -310.64