REAL300007608268.mol2 39                                                        
   1       C    -0.26     1.17     6.66      71.98       0.48     1.65     16
   2       C     0.21    -3.13     0.91       3.61       0.00    -3.13     16
   3       C    -0.21     3.61     8.05      71.98       0.58     4.19     16
   4       C    -0.18     5.33     3.68      30.59       0.11     5.44     16
   5       C     0.05    -2.12     5.12      29.85       0.15    -1.96     16
   6       C     0.54   -18.51     8.05      71.24       0.57   -17.94     16
   7       O    -0.13     3.70    16.88      19.05       0.32     4.03     16
   8       O    -0.13     3.64    18.00      19.05       0.34     3.98     16
   9       N    -1.08     6.96     5.53    -152.20      -0.84     6.12     16
  10       S     2.75    30.03     5.36     -56.49      -0.30    29.73     16
  11       O    -0.95   -11.55    14.23    -128.00      -1.82   -13.37     16
  12       O    -0.97   -17.79    17.58    -128.00      -2.25   -20.04     16
  13       C    -0.71   -18.39     4.16      22.27       0.09   -18.30     16
  14       C     0.04     1.34     9.53      22.27       0.21     1.55     16
  15       C    -0.19   -11.27     8.62      22.27       0.19   -11.08     16
  16       C     0.47    36.26     4.82      22.27       0.11    36.37     16
  17       F    -0.28   -33.85    16.66      44.97       0.75   -33.10     16
  18       F    -0.57   -61.87    15.31      44.97       0.69   -61.18     16
  19       F    -0.60   -68.61    15.31      44.97       0.69   -67.93     16
  20       F    -0.59   -66.02    15.31      44.97       0.69   -65.33     16
  21       F    -0.60   -65.86    15.31      44.97       0.69   -65.18     16
  22       C    -0.18   -10.32     8.62      22.27       0.19   -10.13     16
  23       C     0.04     1.38     6.84      22.27       0.15     1.53     16
  24       H     0.07     0.25     3.88      -2.39      -0.01     0.24     16
  25       H     0.07     0.24     7.55      -2.39      -0.02     0.22     16
  26       H     0.14    -2.28     5.96      -2.39      -0.01    -2.29     16
  27       H     0.13    -3.85     5.96      -2.39      -0.01    -3.86     16
  28       H     0.10    -1.88     8.14      -2.39      -0.02    -1.90     16
  29       H     0.07    -0.49     5.98      -2.39      -0.01    -0.51     16
  30       H     0.14    -3.96     8.10      -2.39      -0.02    -3.98     16
  31       H     0.17    -6.05     8.10      -2.39      -0.02    -6.07     16
  32       H     0.28   -13.62     6.22      -2.39      -0.01   -13.63     16
  33       H     0.24   -10.09     6.22      -2.39      -0.01   -10.10     16
  34       H     0.44    -5.81     8.62     -96.75      -0.83    -6.65     16
  35       H     0.21     4.65     7.87      -2.91      -0.02     4.63     16
  36       H     0.12     8.49     7.40      -2.91      -0.02     8.47     16
  37       H     0.13     8.42     7.40      -2.91      -0.02     8.39     16
  38       H     0.22     4.19     6.59      -2.91      -0.02     4.18     16
 Total:         -1.00  -317.65   334.53                  0.72  -316.92