REAL300008091959.mol2 39                                                        
   1       C    -0.16     2.73     9.67      71.98       0.70     3.43     16
   2       C    -0.16     3.21     5.03      30.60       0.15     3.36     16
   3       C    -0.08     2.11     2.36     -10.80      -0.03     2.08     16
   4       H     0.27   -10.30     8.14      -2.38      -0.02   -10.32     16
   5       C    -0.20     4.68     8.32      71.98       0.60     5.28     16
   6       C     0.22    -4.43     2.56      44.25       0.11    -4.32     16
   7       H     0.30    -9.03     7.50      -2.39      -0.02    -9.04     16
   8       N    -0.89    17.65     5.11    -172.51      -0.88    16.77     16
   9       S     2.71   -14.79     5.72     -56.49      -0.32   -15.12     16
  10       O    -0.89    -0.14    17.28    -128.00      -2.21    -2.35     16
  11       O    -0.87     4.91    16.63    -128.00      -2.13     2.78     16
  12       C    -0.74   -11.02     5.94      22.27       0.13   -10.89     16
  13       C     0.03     0.68     9.52      22.27       0.21     0.89     16
  14       C    -0.18    -9.39     8.62      22.27       0.19    -9.19     16
  15       C     0.48    34.36     4.82      22.27       0.11    34.46     16
  16       F    -0.27   -32.21    16.66      44.97       0.75   -31.46     16
  17       F    -0.59   -63.23    15.31      44.97       0.69   -62.54     16
  18       F    -0.59   -64.63    15.32      44.97       0.69   -63.94     16
  19       F    -0.59   -64.61    15.32      44.97       0.69   -63.92     16
  20       F    -0.59   -62.99    15.31      44.97       0.69   -62.30     16
  21       C    -0.19   -10.25     8.62      22.27       0.19   -10.06     16
  22       C     0.05     1.34     9.52      22.27       0.21     1.55     16
  23       C     0.52    -2.38     5.54      71.24       0.39    -1.99     16
  24       O    -0.25    -0.42    16.58      19.07       0.32    -0.11     16
  25       O    -0.25    -0.88    17.23      19.05       0.33    -0.55     16
  26       H     0.07    -1.15     6.57      -2.39      -0.02    -1.17     16
  27       H     0.05    -0.65     8.14      -2.39      -0.02    -0.67     16
  28       H     0.09    -1.79     8.14      -2.39      -0.02    -1.81     16
  29       H     0.12    -2.80     8.14      -2.39      -0.02    -2.82     16
  30       H     0.07    -1.05     7.07      -2.39      -0.02    -1.06     16
  31       H     0.06    -1.06     6.56      -2.39      -0.02    -1.08     16
  32       H     0.12    -2.94     6.56      -2.39      -0.02    -2.95     16
  33       H     0.11    -2.98     6.73      -2.38      -0.02    -3.00     16
  34       H     0.48   -13.67     7.32     -96.74      -0.71   -14.38     16
  35       H     0.24     1.00     7.62      -2.91      -0.02     0.97     16
  36       H     0.14     8.19     7.40      -2.91      -0.02     8.17     16
  37       H     0.13     8.11     7.40      -2.91      -0.02     8.09     16
  38       H     0.23     2.85     7.62      -2.91      -0.02     2.83     16
 Total:         -1.00  -296.98   347.88                  0.61  -296.37