REAL300007713131.mol2 37                                                        
   1       C     0.03     0.26    11.01     113.37       1.25     1.51     16
   2       O    -0.38    -0.62    10.70    -148.98      -1.59    -2.22     16
   3       C     0.03    -0.26     5.83      71.98       0.42     0.16     16
   4       C    -0.13     2.85     5.17      30.59       0.16     3.00     16
   5       C     0.25    -5.85     2.64      44.25       0.12    -5.73     16
   6       N    -0.88    18.79     4.43    -172.51      -0.76    18.02     16
   7       S     2.70   -17.89     5.65     -56.49      -0.32   -18.21     16
   8       O    -0.88     0.87    17.28    -128.00      -2.21    -1.35     16
   9       O    -0.89     3.36    17.05    -128.00      -2.18     1.18     16
  10       C    -0.72    -6.89     5.82      22.27       0.13    -6.76     16
  11       C     0.04     0.65     8.88      22.27       0.20     0.85     16
  12       C    -0.17    -8.13     8.62      22.27       0.19    -7.93     16
  13       C     0.48    31.74     4.82      22.27       0.11    31.85     16
  14       F    -0.28   -31.72    16.67      44.97       0.75   -30.97     16
  15       F    -0.59   -60.79    15.31      44.97       0.69   -60.10     16
  16       F    -0.60   -62.85    15.31      44.97       0.69   -62.16     16
  17       F    -0.61   -64.64    15.33      44.97       0.69   -63.95     16
  18       F    -0.56   -56.80    15.30      44.97       0.69   -56.12     16
  19       C    -0.18    -8.95     8.62      22.27       0.19    -8.76     16
  20       C     0.05     1.06     9.52      22.27       0.21     1.27     16
  21       C     0.54   -10.35     7.36      71.24       0.52    -9.83     16
  22       O    -0.23     3.27    18.00      19.09       0.34     3.61     16
  23       O    -0.24     3.68    17.36      19.05       0.33     4.01     16
  24       H     0.11     0.81     8.14      -2.39      -0.02     0.80     16
  25       H     0.06     0.50     8.14      -2.38      -0.02     0.48     16
  26       H     0.02     0.43     8.14      -2.39      -0.02     0.41     16
  27       H     0.07    -0.26     8.14      -2.39      -0.02    -0.28     16
  28       H     0.10    -1.27     7.75      -2.39      -0.02    -1.29     16
  29       H     0.18    -5.40     8.14      -2.38      -0.02    -5.42     16
  30       H     0.17    -4.33     8.14      -2.39      -0.02    -4.34     16
  31       H     0.29    -8.04     7.21      -2.39      -0.02    -8.06     16
  32       H     0.49   -15.00     8.84     -96.74      -0.85   -15.85     16
  33       H     0.24    -0.11     7.62      -2.91      -0.02    -0.13     16
  34       H     0.13     7.40     7.40      -2.91      -0.02     7.38     16
  35       H     0.13     7.50     7.40      -2.91      -0.02     7.48     16
  36       H     0.23     1.58     7.62      -2.91      -0.02     1.55     16
 Total:         -1.00  -285.37   349.38                 -0.49  -285.86