REAL300007635376.mol2 30                                                        
   1       C    -0.18     3.99     9.50      71.98       0.68     4.68     15
   2       C     0.27    -6.28     3.37      44.25       0.15    -6.13     15
   3       N    -0.96    11.65     5.44    -172.52      -0.94    10.72     15
   4       S     2.71     9.08     5.72     -56.49      -0.32     8.75     15
   5       O    -0.93   -18.21    17.28    -128.00      -2.21   -20.43     15
   6       O    -0.87     2.20    16.63    -128.00      -2.13     0.07     15
   7       C    -0.66   -11.25     5.07      22.27       0.11   -11.14     15
   8       C    -0.02    -0.08     8.56      22.27       0.19     0.11     15
   9       C    -0.06    -1.11    10.05      22.27       0.22    -0.88     15
  10       C    -0.10    -4.61     8.62      22.27       0.19    -4.42     15
  11       C     0.39    25.89     4.82      22.27       0.11    25.99     15
  12       F    -0.28   -32.96    16.66      44.97       0.75   -32.21     15
  13       F    -0.59   -63.28    15.31      44.97       0.69   -62.59     15
  14       F    -0.59   -60.39    15.31      44.97       0.69   -59.70     15
  15       F    -0.58   -59.66    15.32      44.97       0.69   -58.97     15
  16       F    -0.60   -63.75    15.31      44.97       0.69   -63.06     15
  17       C    -0.05    -2.49     8.10      22.27       0.18    -2.31     15
  18       C     0.54   -10.88     7.23      71.23       0.52   -10.37     15
  19       O    -0.20     3.70    18.00      19.04       0.34     4.05     15
  20       O    -0.24     3.24    17.09      19.05       0.33     3.57     15
  21       H     0.13    -2.47     8.14      -2.39      -0.02    -2.49     15
  22       H     0.19    -2.99     6.15      -2.39      -0.01    -3.00     15
  23       H     0.19    -6.02     8.14      -2.39      -0.02    -6.04     15
  24       H     0.29   -10.33     7.50      -2.39      -0.02   -10.35     15
  25       H     0.47    -6.60     8.15     -96.74      -0.79    -7.39     15
  26       H     0.27    -4.33     7.62      -2.91      -0.02    -4.36     15
  27       H     0.23     0.74     8.06      -2.91      -0.02     0.72     15
  28       H     0.12     7.03     7.40      -2.91      -0.02     7.01     15
  29       H     0.13     7.37     6.96      -2.91      -0.02     7.35     15
 Total:         -1.00  -292.77   291.50                 -0.02  -292.79