REAL300007749408.mol2 39                                                        
   1       C    -0.16     2.98     9.91      71.98       0.71     3.69     16
   2       C    -0.15     3.83     5.67      30.60       0.17     4.01     16
   3       C    -0.15     5.03     4.33      30.59       0.13     5.16     16
   4       C     0.02    -0.76     2.43     -11.54      -0.03    -0.78     16
   5       C     0.05    -1.29     5.60      86.38       0.48    -0.81     16
   6       N    -1.07     9.13     5.77    -187.50      -1.08     8.05     16
   7       S     2.74    27.30     5.74     -56.49      -0.32    26.98     16
   8       O    -0.98   -27.13    17.28    -128.00      -2.21   -29.34     16
   9       O    -0.90    -2.17    16.76    -128.00      -2.15    -4.32     16
  10       C    -0.66   -16.99     5.95      22.27       0.13   -16.86     16
  11       C    -0.01    -0.16     9.52      22.27       0.21     0.05     16
  12       C    -0.07    -1.78    10.05      22.27       0.22    -1.56     16
  13       C    -0.11    -6.32     8.62      22.27       0.19    -6.13     16
  14       C     0.41    30.25     4.82      22.27       0.11    30.35     16
  15       F    -0.35   -43.32    16.68      44.97       0.75   -42.57     16
  16       F    -0.58   -65.77    15.32      44.97       0.69   -65.08     16
  17       F    -0.59   -64.58    15.30      44.97       0.69   -63.89     16
  18       F    -0.59   -65.09    15.32      44.97       0.69   -64.40     16
  19       F    -0.58   -65.48    15.31      44.97       0.69   -64.79     16
  20       C    -0.07    -3.66     8.10      22.27       0.18    -3.48     16
  21       C     0.53    -8.14     7.10      71.24       0.51    -7.63     16
  22       O    -0.22     2.26    14.86      19.03       0.28     2.55     16
  23       O    -0.25     1.03    15.78      19.05       0.30     1.33     16
  24       H     0.05    -0.84     8.14      -2.39      -0.02    -0.85     16
  25       H     0.08    -1.73     8.14      -2.39      -0.02    -1.75     16
  26       H     0.04    -0.59     8.14      -2.39      -0.02    -0.61     16
  27       H     0.08    -1.52     5.94      -2.39      -0.01    -1.54     16
  28       H     0.11    -3.33     8.14      -2.39      -0.02    -3.35     16
  29       H     0.25   -11.21     8.14      -2.39      -0.02   -11.23     16
  30       H     0.14    -4.62     7.95      -2.39      -0.02    -4.64     16
  31       H     0.29   -12.30     8.14      -2.38      -0.02   -12.32     16
  32       H     0.31   -12.77     7.75      -2.39      -0.02   -12.78     16
  33       H     0.20    -5.40     8.14      -2.39      -0.02    -5.42     16
  34       H     0.44    -3.62     6.66     -96.74      -0.64    -4.26     16
  35       H     0.26    -2.31     7.62      -2.91      -0.02    -2.33     16
  36       H     0.23     2.32     8.06      -2.91      -0.02     2.29     16
  37       H     0.12     7.93     7.40      -2.91      -0.02     7.91     16
  38       H     0.12     8.13     6.96      -2.91      -0.02     8.11     16
 Total:         -1.00  -332.69   351.56                  0.44  -332.26