REAL300010802150.mol2 39                                                        
   1       O    -0.15     4.87    16.88      19.05       0.32     5.19     16
   2       C     0.54   -21.37     8.05      71.23       0.57   -20.80     16
   3       O    -0.13     4.42    18.00      19.04       0.34     4.76     16
   4       C     0.06    -2.83     5.78      29.85       0.17    -2.66     16
   5       C    -0.16     6.15     4.50      30.59       0.14     6.29     16
   6       C    -0.11     3.10     5.21      30.59       0.16     3.26     16
   7       C    -0.12     1.97     5.36      30.60       0.16     2.13     16
   8       C     0.08    -0.24     6.22      86.38       0.54     0.29     16
   9       N    -1.09    -4.38     6.00    -187.48      -1.12    -5.50     16
  10       S     2.75    49.89     5.74     -56.49      -0.32    49.56     16
  11       O    -0.97   -23.19    17.28    -128.00      -2.21   -25.40     16
  12       O    -0.96   -19.52    16.76    -128.00      -2.15   -21.67     16
  13       C    -0.71   -23.01     5.95      22.27       0.13   -22.88     16
  14       C     0.04     1.53     9.52      22.27       0.21     1.74     16
  15       C    -0.18   -11.29     8.62      22.27       0.19   -11.09     16
  16       C     0.49    39.58     4.82      22.27       0.11    39.69     16
  17       F    -0.34   -43.08    16.65      44.97       0.75   -42.33     16
  18       F    -0.59   -67.17    15.32      44.97       0.69   -66.48     16
  19       F    -0.58   -66.58    15.30      44.97       0.69   -65.89     16
  20       F    -0.59   -69.28    15.31      44.97       0.69   -68.59     16
  21       F    -0.57   -64.20    15.31      44.97       0.69   -63.52     16
  22       C    -0.19   -12.31     8.62      22.27       0.19   -12.12     16
  23       C     0.04     1.47     9.52      22.27       0.21     1.69     16
  24       H     0.26   -14.09     8.14      -2.39      -0.02   -14.11     16
  25       H     0.25   -12.74     8.14      -2.39      -0.02   -12.75     16
  26       H     0.12    -4.35     8.10      -2.38      -0.02    -4.37     16
  27       H     0.13    -5.13     8.10      -2.38      -0.02    -5.15     16
  28       H     0.11    -3.49     8.14      -2.39      -0.02    -3.51     16
  29       H     0.10    -2.50     8.14      -2.39      -0.02    -2.52     16
  30       H     0.09    -1.36     8.14      -2.39      -0.02    -1.38     16
  31       H     0.10    -1.87     8.14      -2.39      -0.02    -1.89     16
  32       H     0.10    -0.47     7.75      -2.39      -0.02    -0.49     16
  33       H     0.07     0.04     8.14      -2.38      -0.02     0.02     16
  34       H     0.43    -0.72     8.65     -96.74      -0.84    -1.56     16
  35       H     0.22     5.12     7.62      -2.91      -0.02     5.10     16
  36       H     0.14     9.45     7.40      -2.91      -0.02     9.42     16
  37       H     0.13     9.43     7.40      -2.91      -0.02     9.40     16
  38       H     0.21     6.22     7.62      -2.91      -0.02     6.20     16
 Total:         -1.00  -331.93   360.36                  0.04  -331.89