REAL300007629539.mol2 39                                                        
   1       C    -0.20     3.11     7.93      71.98       0.57     3.68     16
   2       C    -0.05     0.95     0.62     -52.18      -0.03     0.91     16
   3       C    -0.14     3.59     8.32      71.98       0.60     4.19     16
   4       C    -0.18     3.97     8.11      71.98       0.58     4.55     16
   5       C     0.22    -3.40     2.05      44.24       0.09    -3.31     16
   6       H     0.31    -9.42     7.50      -2.39      -0.02    -9.44     16
   7       N    -0.90     7.20     4.34    -172.52      -0.75     6.45     16
   8       S     2.69    15.87     5.72     -56.49      -0.32    15.55     16
   9       O    -0.91   -18.41    17.28    -128.00      -2.21   -20.63     16
  10       O    -0.84     2.17    16.63    -128.00      -2.13     0.04     16
  11       C    -0.68   -15.88     5.94      22.27       0.13   -15.75     16
  12       C    -0.03    -0.34     9.52      22.27       0.21    -0.13     16
  13       C    -0.07    -1.68    10.05      22.27       0.22    -1.45     16
  14       C    -0.10    -5.39     8.62      22.27       0.19    -5.20     16
  15       C     0.41    29.29     4.82      22.27       0.11    29.40     16
  16       F    -0.34   -41.12    16.66      44.97       0.75   -40.37     16
  17       F    -0.60   -66.35    15.32      44.97       0.69   -65.66     16
  18       F    -0.56   -59.72    15.30      44.97       0.69   -59.03     16
  19       F    -0.57   -62.03    15.31      44.97       0.69   -61.34     16
  20       F    -0.59   -65.49    15.32      44.97       0.69   -64.81     16
  21       C    -0.05    -2.75     8.10      22.27       0.18    -2.57     16
  22       C     0.52    -1.41     5.54      71.24       0.39    -1.01     16
  23       O    -0.27    -2.76    16.61      19.04       0.32    -2.44     16
  24       O    -0.22     0.61    17.01      19.07       0.32     0.93     16
  25       H     0.08    -1.36     6.51      -2.39      -0.02    -1.37     16
  26       H     0.06    -0.63     6.64      -2.39      -0.02    -0.65     16
  27       H     0.13    -2.36     8.14      -2.39      -0.02    -2.37     16
  28       H     0.14    -3.64     8.14      -2.39      -0.02    -3.66     16
  29       H     0.12    -3.60     8.14      -2.39      -0.02    -3.62     16
  30       H     0.09    -2.13     7.60      -2.39      -0.02    -2.14     16
  31       H     0.06    -1.13     6.64      -2.39      -0.02    -1.15     16
  32       H     0.12    -3.30     8.14      -2.39      -0.02    -3.32     16
  33       H     0.12    -2.83     8.14      -2.39      -0.02    -2.85     16
  34       H     0.47    -5.83     7.03     -96.75      -0.68    -6.51     16
  35       H     0.27    -2.57     7.62      -2.91      -0.02    -2.59     16
  36       H     0.23     2.26     8.06      -2.91      -0.02     2.23     16
  37       H     0.13     8.08     7.40      -2.91      -0.02     8.06     16
  38       H     0.14     8.28     6.96      -2.91      -0.02     8.25     16
 Total:         -1.00  -300.16   347.78                  1.04  -299.12