REAL300008091958.mol2 39                                                        
   1       C    -0.16     2.86     9.67      71.98       0.70     3.56     16
   2       C    -0.15     3.31     5.03      30.60       0.15     3.46     16
   3       C    -0.08     1.98     2.36     -10.79      -0.03     1.96     16
   4       H     0.27    -9.40     8.14      -2.39      -0.02    -9.42     16
   5       C    -0.21     3.55     8.32      71.98       0.60     4.15     16
   6       C     0.22    -3.99     2.56      44.25       0.11    -3.88     16
   7       H     0.32   -10.44     7.50      -2.39      -0.02   -10.46     16
   8       N    -0.90     9.31     5.11    -172.53      -0.88     8.43     16
   9       S     2.70    13.78     5.72     -56.49      -0.32    13.46     16
  10       O    -0.92   -18.15    17.28    -128.00      -2.21   -20.36     16
  11       O    -0.85     2.49    16.63    -128.00      -2.13     0.36     16
  12       C    -0.68   -15.80     5.94      22.27       0.13   -15.66     16
  13       C    -0.03    -0.36     9.52      22.27       0.21    -0.15     16
  14       C    -0.07    -1.77    10.05      22.27       0.22    -1.55     16
  15       C    -0.10    -5.50     8.62      22.27       0.19    -5.31     16
  16       C     0.39    28.22     4.82      22.27       0.11    28.33     16
  17       F    -0.28   -32.87    16.66      44.97       0.75   -32.12     16
  18       F    -0.59   -64.89    15.31      44.97       0.69   -64.20     16
  19       F    -0.59   -62.35    15.31      44.97       0.69   -61.66     16
  20       F    -0.59   -64.04    15.32      44.97       0.69   -63.36     16
  21       F    -0.59   -64.69    15.31      44.97       0.69   -64.00     16
  22       C    -0.05    -2.72     8.10      22.27       0.18    -2.54     16
  23       C     0.52    -2.00     5.54      71.24       0.39    -1.61     16
  24       O    -0.26    -2.50    16.58      19.07       0.32    -2.19     16
  25       O    -0.23     0.76    17.23      19.04       0.33     1.08     16
  26       H     0.08    -1.75     8.14      -2.39      -0.02    -1.76     16
  27       H     0.06    -0.97     6.56      -2.39      -0.02    -0.98     16
  28       H     0.06    -0.85     8.14      -2.39      -0.02    -0.87     16
  29       H     0.13    -3.70     8.14      -2.39      -0.02    -3.72     16
  30       H     0.07    -1.34     7.07      -2.39      -0.02    -1.36     16
  31       H     0.09    -1.61     6.73      -2.39      -0.02    -1.63     16
  32       H     0.06    -0.71     6.56      -2.39      -0.02    -0.73     16
  33       H     0.13    -2.39     6.56      -2.39      -0.02    -2.40     16
  34       H     0.47    -7.06     7.32     -96.74      -0.71    -7.77     16
  35       H     0.27    -2.57     7.62      -2.91      -0.02    -2.59     16
  36       H     0.23     2.40     8.06      -2.91      -0.02     2.38     16
  37       H     0.12     7.85     7.40      -2.91      -0.02     7.82     16
  38       H     0.14     8.17     6.96      -2.91      -0.02     8.15     16
 Total:         -1.00  -299.74   347.88                  0.61  -299.13