REAL300008038292.mol2 36                                                        
   1       C    -0.16     0.93     9.91      71.98       0.71     1.65     16
   2       C    -0.14     1.63     5.82      30.60       0.18     1.81     16
   3       C    -0.12     2.96     4.80      30.60       0.15     3.11     16
   4       C     0.24    -5.30     2.63      44.25       0.12    -5.19     16
   5       H     0.27    -7.03     7.21      -2.38      -0.02    -7.04     16
   6       N    -0.88    18.13     4.59    -172.52      -0.79    17.33     16
   7       S     2.70   -14.70     5.65     -56.49      -0.32   -15.02     16
   8       O    -0.88     0.02    17.28    -128.00      -2.21    -2.19     16
   9       O    -0.89     1.88    17.05    -128.00      -2.18    -0.31     16
  10       C    -0.72    -7.71     5.82      22.27       0.13    -7.58     16
  11       C     0.04     0.69     8.88      22.27       0.20     0.89     16
  12       C    -0.18    -8.40     8.62      22.27       0.19    -8.21     16
  13       C     0.48    32.27     4.82      22.27       0.11    32.37     16
  14       F    -0.28   -32.35    16.65      44.97       0.75   -31.60     16
  15       F    -0.58   -59.36    15.31      44.97       0.69   -58.67     16
  16       F    -0.60   -64.11    15.31      44.97       0.69   -63.42     16
  17       F    -0.60   -64.26    15.30      44.97       0.69   -63.57     16
  18       F    -0.58   -59.23    15.32      44.97       0.69   -58.54     16
  19       C    -0.18    -9.03     8.62      22.27       0.19    -8.83     16
  20       C     0.06     1.18     9.52      22.27       0.21     1.39     16
  21       C     0.54    -9.63     7.23      71.23       0.52    -9.12     16
  22       O    -0.25     2.94    18.00      19.03       0.34     3.28     16
  23       O    -0.25     3.70    17.59      19.04       0.33     4.04     16
  24       H     0.05     0.18     8.14      -2.39      -0.02     0.16     16
  25       H     0.07    -0.45     8.14      -2.39      -0.02    -0.47     16
  26       H     0.09    -1.07     8.14      -2.39      -0.02    -1.09     16
  27       H     0.08    -0.43     8.14      -2.39      -0.02    -0.45     16
  28       H     0.11    -1.59     7.75      -2.39      -0.02    -1.61     16
  29       H     0.18    -5.78     8.14      -2.39      -0.02    -5.80     16
  30       H     0.17    -4.77     8.14      -2.39      -0.02    -4.79     16
  31       H     0.49   -14.62     8.84     -96.75      -0.85   -15.48     16
  32       H     0.24     0.42     7.62      -2.91      -0.02     0.40     16
  33       H     0.13     7.61     7.40      -2.91      -0.02     7.59     16
  34       H     0.13     7.54     7.40      -2.91      -0.02     7.51     16
  35       H     0.23     1.73     7.62      -2.91      -0.02     1.71     16
 Total:         -1.00  -286.02   337.42                  0.28  -285.74