REAL300007640940.mol2 30                                                        
   1       C    -0.16     5.58     9.50      71.98       0.68     6.26     15
   2       C     0.26    -6.31     3.25      44.25       0.14    -6.16     15
   3       H     0.26    -8.56     7.21      -2.39      -0.02    -8.58     15
   4       N    -0.95    12.67     5.33    -172.51      -0.92    11.75     15
   5       S     2.71     6.11     5.65     -56.49      -0.32     5.79     15
   6       O    -0.93   -17.83    17.28    -128.00      -2.21   -20.04     15
   7       O    -0.85     5.71    16.55    -128.00      -2.12     3.60     15
   8       C    -0.67   -12.97     5.82      22.27       0.13   -12.84     15
   9       C    -0.02    -0.12     8.88      22.27       0.20     0.08     15
  10       C    -0.07    -1.40    10.05      22.27       0.22    -1.18     15
  11       C    -0.10    -5.38     8.62      22.27       0.19    -5.19     15
  12       C     0.40    27.94     4.82      22.27       0.11    28.05     15
  13       F    -0.35   -42.82    16.66      44.97       0.75   -42.07     15
  14       F    -0.58   -63.56    15.32      44.97       0.69   -62.87     15
  15       F    -0.58   -61.94    15.30      44.97       0.69   -61.26     15
  16       F    -0.57   -61.53    15.31      44.97       0.69   -60.84     15
  17       F    -0.59   -64.32    15.32      44.97       0.69   -63.63     15
  18       C    -0.06    -3.05     8.10      22.27       0.18    -2.87     15
  19       C     0.53    -7.84     7.36      71.24       0.52    -7.32     15
  20       O    -0.26     1.14    16.86      19.03       0.32     1.46     15
  21       O    -0.21     2.56    18.00      19.07       0.34     2.90     15
  22       H     0.15    -5.54     8.14      -2.39      -0.02    -5.56     15
  23       H     0.18    -7.28     8.14      -2.39      -0.02    -7.30     15
  24       H     0.24    -9.23     7.64      -2.39      -0.02    -9.25     15
  25       H     0.47    -7.10     8.11     -96.74      -0.78    -7.88     15
  26       H     0.27    -4.29     7.62      -2.91      -0.02    -4.31     15
  27       H     0.23     1.42     8.06      -2.91      -0.02     1.39     15
  28       H     0.12     7.47     7.40      -2.91      -0.02     7.45     15
  29       H     0.13     7.71     6.96      -2.91      -0.02     7.69     15
 Total:         -1.00  -312.76   293.25                  0.03  -312.72