REAL300007708517.mol2 34                                                        
   1       C    -0.11     0.34    14.32      67.78       0.97     1.31     16
   2       C    -0.18     2.34     9.25      25.64       0.24     2.57     16
   3       C    -0.08     2.10     5.24      29.85       0.16     2.26     16
   4       C     0.24    -5.28     2.62      44.24       0.12    -5.17     16
   5       N    -0.89    18.03     4.83    -172.53      -0.83    17.20     16
   6       S     2.70   -14.33     5.65     -56.49      -0.32   -14.65     16
   7       O    -0.88    -0.04    17.28    -128.00      -2.21    -2.25     16
   8       O    -0.90     1.59    17.05    -128.00      -2.18    -0.59     16
   9       C    -0.72    -7.53     5.82      22.27       0.13    -7.40     16
  10       C     0.04     0.72     8.88      22.27       0.20     0.91     16
  11       C    -0.17    -8.27     8.62      22.27       0.19    -8.07     16
  12       C     0.49    33.04     4.82      22.27       0.11    33.15     16
  13       F    -0.34   -40.17    16.66      44.97       0.75   -39.42     16
  14       F    -0.57   -58.65    15.31      44.97       0.69   -57.96     16
  15       F    -0.59   -63.29    15.31      44.97       0.69   -62.61     16
  16       F    -0.60   -64.79    15.31      44.97       0.69   -64.11     16
  17       F    -0.56   -56.90    15.31      44.97       0.69   -56.21     16
  18       C    -0.18    -8.93     8.62      22.27       0.19    -8.74     16
  19       C     0.06     1.15     9.52      22.27       0.21     1.36     16
  20       C     0.54    -9.41     7.23      71.24       0.52    -8.89     16
  21       O    -0.26     2.94    18.00      19.04       0.34     3.28     16
  22       O    -0.26     3.69    17.59      19.04       0.33     4.03     16
  23       H     0.09     0.71     8.06      -2.91      -0.02     0.69     16
  24       H     0.14    -1.23     7.84      -2.91      -0.02    -1.25     16
  25       H     0.15    -1.97     8.03      -2.91      -0.02    -1.99     16
  26       H     0.18    -6.10     8.14      -2.39      -0.02    -6.12     16
  27       H     0.17    -5.08     7.79      -2.38      -0.02    -5.10     16
  28       H     0.26    -6.60     7.21      -2.39      -0.02    -6.62     16
  29       H     0.49   -14.52     8.84     -96.75      -0.85   -15.38     16
  30       H     0.24     0.41     7.62      -2.91      -0.02     0.39     16
  31       H     0.14     7.62     7.40      -2.91      -0.02     7.60     16
  32       H     0.13     7.65     7.40      -2.91      -0.02     7.63     16
  33       H     0.23     1.62     7.62      -2.91      -0.02     1.59     16
 Total:         -1.00  -289.17   329.21                  0.59  -288.57