REAL300007707376.mol2 39                                                        
   1       C    -0.16     1.57     9.67      71.98       0.70     2.27     16
   2       C    -0.16     2.43     4.72      30.60       0.14     2.57     16
   3       C    -0.09     2.05     2.40     -10.79      -0.03     2.02     16
   4       C    -0.19     4.53     8.52      71.98       0.61     5.14     16
   5       C     0.23    -4.66     2.51      44.24       0.11    -4.55     16
   6       N    -0.90    16.99     4.94    -172.52      -0.85    16.14     16
   7       S     2.71   -11.48     5.65     -56.49      -0.32   -11.79     16
   8       O    -0.89    -1.06    17.28    -128.00      -2.21    -3.27     16
   9       O    -0.90     0.75    17.05    -128.00      -2.18    -1.43     16
  10       C    -0.72    -8.10     5.82      22.27       0.13    -7.97     16
  11       C     0.04     0.67     8.89      22.27       0.20     0.87     16
  12       C    -0.18    -8.46     8.62      22.27       0.19    -8.26     16
  13       C     0.48    32.27     4.82      22.27       0.11    32.38     16
  14       F    -0.28   -32.62    16.67      44.97       0.75   -31.87     16
  15       F    -0.58   -59.63    15.32      44.97       0.69   -58.94     16
  16       F    -0.60   -63.83    15.31      44.97       0.69   -63.14     16
  17       F    -0.60   -64.55    15.32      44.97       0.69   -63.86     16
  18       F    -0.58   -59.09    15.31      44.97       0.69   -58.40     16
  19       C    -0.18    -9.15     8.62      22.27       0.19    -8.96     16
  20       C     0.05     1.19     9.52      22.27       0.21     1.40     16
  21       C     0.53    -8.16     5.89      71.23       0.42    -7.74     16
  22       O    -0.23     2.72    15.70      19.04       0.30     3.02     16
  23       O    -0.26     3.09    17.36      19.04       0.33     3.42     16
  24       H     0.06    -0.33     8.14      -2.39      -0.02    -0.35     16
  25       H     0.08    -1.06     6.56      -2.39      -0.02    -1.08     16
  26       H     0.06    -0.44     8.14      -2.39      -0.02    -0.46     16
  27       H     0.10    -1.77     6.22      -2.39      -0.01    -1.79     16
  28       H     0.10    -1.51     8.14      -2.39      -0.02    -1.53     16
  29       H     0.25    -6.37     8.14      -2.39      -0.02    -6.39     16
  30       H     0.09    -1.99     7.22      -2.39      -0.02    -2.00     16
  31       H     0.11    -3.02     6.50      -2.39      -0.02    -3.03     16
  32       H     0.12    -2.54     6.56      -2.39      -0.02    -2.55     16
  33       H     0.28    -6.99     7.22      -2.39      -0.02    -7.01     16
  34       H     0.48   -13.12     7.03     -96.75      -0.68   -13.80     16
  35       H     0.24     0.48     7.62      -2.91      -0.02     0.46     16
  36       H     0.14     7.66     7.40      -2.91      -0.02     7.64     16
  37       H     0.13     7.62     7.40      -2.91      -0.02     7.60     16
  38       H     0.23     1.88     7.62      -2.91      -0.02     1.85     16
 Total:         -1.00  -284.01   345.80                  0.61  -283.40