REAL300007650713.mol2 36                                                        
   1       C    -0.16     2.32     9.04      71.98       0.65     2.97     16
   2       C    -0.08     1.68     2.60     -10.79      -0.03     1.65     16
   3       C    -0.19     3.44     8.69      71.98       0.63     4.06     16
   4       C     0.23    -4.58     2.26      44.24       0.10    -4.48     16
   5       N    -0.89    16.84     4.21    -172.52      -0.73    16.12     16
   6       S     2.70   -10.81     5.65     -56.49      -0.32   -11.13     16
   7       O    -0.88    -1.01    17.28    -128.00      -2.21    -3.22     16
   8       O    -0.90     0.41    17.05    -128.00      -2.18    -1.77     16
   9       C    -0.72    -8.33     5.82      22.27       0.13    -8.20     16
  10       C     0.04     0.68     8.88      22.27       0.20     0.88     16
  11       C    -0.17    -8.43     8.62      22.27       0.19    -8.24     16
  12       C     0.48    32.30     4.82      22.27       0.11    32.40     16
  13       F    -0.28   -31.97    16.66      44.97       0.75   -31.22     16
  14       F    -0.57   -59.18    15.31      44.97       0.69   -58.49     16
  15       F    -0.60   -63.83    15.32      44.97       0.69   -63.14     16
  16       F    -0.60   -64.69    15.32      44.97       0.69   -64.00     16
  17       F    -0.58   -59.27    15.31      44.97       0.69   -58.58     16
  18       C    -0.18    -8.98     8.62      22.27       0.19    -8.79     16
  19       C     0.06     1.20     9.52      22.27       0.21     1.41     16
  20       C     0.53    -8.49     7.15      71.23       0.51    -7.98     16
  21       O    -0.23     2.74    15.59      19.03       0.30     3.04     16
  22       O    -0.27     3.19    17.36      19.06       0.33     3.52     16
  23       H     0.07    -0.45     8.14      -2.39      -0.02    -0.47     16
  24       H     0.13    -1.84     8.14      -2.39      -0.02    -1.86     16
  25       H     0.10    -1.87     7.61      -2.39      -0.02    -1.89     16
  26       H     0.19    -5.84     8.14      -2.39      -0.02    -5.86     16
  27       H     0.08    -1.21     8.14      -2.39      -0.02    -1.23     16
  28       H     0.10    -1.83     5.88      -2.39      -0.01    -1.84     16
  29       H     0.12    -2.11     8.14      -2.39      -0.02    -2.13     16
  30       H     0.27    -6.21     7.21      -2.39      -0.02    -6.23     16
  31       H     0.48   -13.91     8.84     -96.75      -0.85   -14.77     16
  32       H     0.23     0.66     7.62      -2.91      -0.02     0.64     16
  33       H     0.13     7.64     7.40      -2.91      -0.02     7.61     16
  34       H     0.13     7.59     7.40      -2.91      -0.02     7.57     16
  35       H     0.23     1.81     7.61      -2.91      -0.02     1.79     16
 Total:         -1.00  -282.33   331.36                  0.49  -281.84