REAL300007630133.mol2 39                                                        
   1       C    -0.18     3.02     9.44      71.98       0.68     3.70     16
   2       C    -0.17     2.88     4.33      30.59       0.13     3.02     16
   3       C     0.14    -1.92     0.57       3.60       0.00    -1.92     16
   4       C    -0.26     1.63     6.61      71.98       0.48     2.11     16
   5       C     0.03    -0.86     4.69      29.85       0.14    -0.72     16
   6       C     0.51   -12.87     7.27      71.23       0.52   -12.35     16
   7       O    -0.04     0.93    12.42      19.04       0.24     1.16     16
   8       O    -0.18     3.74    18.00      19.06       0.34     4.09     16
   9       N    -1.06     3.53     4.62    -152.23      -0.70     2.83     16
  10       S     2.74    37.88     5.46     -56.49      -0.31    37.57     16
  11       O    -0.97   -27.28    17.69    -128.00      -2.26   -29.54     16
  12       O    -0.90    -6.60    13.96    -128.00      -1.79    -8.39     16
  13       C    -0.65   -18.55     3.78      22.27       0.08   -18.46     16
  14       C    -0.03    -0.48     7.06      22.27       0.16    -0.32     16
  15       C    -0.07    -2.16    10.05      22.27       0.22    -1.94     16
  16       C    -0.11    -6.20     8.62      22.27       0.19    -6.01     16
  17       C     0.40    29.06     4.82      22.27       0.11    29.17     16
  18       F    -0.28   -33.66    16.66      44.97       0.75   -32.91     16
  19       F    -0.61   -67.96    15.32      44.97       0.69   -67.27     16
  20       F    -0.57   -58.88    15.30      44.97       0.69   -58.19     16
  21       F    -0.60   -64.07    15.31      44.97       0.69   -63.38     16
  22       F    -0.60   -65.91    15.32      44.97       0.69   -65.22     16
  23       C    -0.05    -2.81     8.11      22.27       0.18    -2.63     16
  24       H     0.06    -0.81     7.52      -2.39      -0.02    -0.83     16
  25       H     0.10    -2.56     6.51      -2.38      -0.02    -2.57     16
  26       H     0.08    -1.14     8.14      -2.39      -0.02    -1.16     16
  27       H     0.14    -1.55     5.55      -2.38      -0.01    -1.56     16
  28       H     0.14    -3.43     5.44      -2.39      -0.01    -3.44     16
  29       H     0.13    -1.98     5.38      -2.39      -0.01    -1.99     16
  30       H     0.07     0.38     6.99      -2.38      -0.02     0.36     16
  31       H     0.12    -0.80     5.11      -2.39      -0.01    -0.81     16
  32       H     0.27   -10.00     6.51      -2.39      -0.02   -10.02     16
  33       H     0.24    -6.87     8.14      -2.39      -0.02    -6.89     16
  34       H     0.45    -4.08     8.62     -96.75      -0.83    -4.92     16
  35       H     0.24     0.46     6.85      -2.91      -0.02     0.44     16
  36       H     0.22     3.29     8.06      -2.91      -0.02     3.26     16
  37       H     0.12     7.93     7.40      -2.91      -0.02     7.90     16
  38       H     0.13     7.91     7.30      -2.91      -0.02     7.88     16
 Total:         -1.00  -300.78   328.90                  0.84  -299.94