REAL300008038291.mol2 36                                                        
   1       C    -0.16    -0.03     9.91      71.98       0.71     0.69     16
   2       C    -0.14     0.75     5.82      30.60       0.18     0.93     16
   3       C    -0.12     2.56     4.80      30.59       0.15     2.71     16
   4       C     0.24    -4.89     2.63      44.24       0.12    -4.77     16
   5       H     0.29    -8.56     7.21      -2.39      -0.02    -8.58     16
   6       N    -0.90     9.74     4.59    -172.52      -0.79     8.95     16
   7       S     2.69    14.25     5.65     -56.49      -0.32    13.93     16
   8       O    -0.92   -18.26    17.28    -128.00      -2.21   -20.47     16
   9       O    -0.87    -0.61    17.05    -128.00      -2.18    -2.79     16
  10       C    -0.66   -12.68     5.82      22.27       0.13   -12.55     16
  11       C    -0.02    -0.17     8.88      22.27       0.20     0.03     16
  12       C    -0.06    -1.27    10.05      22.27       0.22    -1.04     16
  13       C    -0.10    -4.79     8.62      22.27       0.19    -4.60     16
  14       C     0.40    26.53     4.82      22.27       0.11    26.63     16
  15       F    -0.28   -32.82    16.67      44.97       0.75   -32.07     16
  16       F    -0.61   -65.78    15.32      44.97       0.69   -65.09     16
  17       F    -0.58   -57.80    15.30      44.97       0.69   -57.11     16
  18       F    -0.58   -59.35    15.31      44.97       0.69   -58.66     16
  19       F    -0.60   -63.98    15.32      44.97       0.69   -63.29     16
  20       C    -0.05    -2.39     8.10      22.27       0.18    -2.21     16
  21       C     0.54    -9.62     7.23      71.24       0.52    -9.10     16
  22       O    -0.23     3.56    18.00      19.04       0.34     3.90     16
  23       O    -0.25     3.15    17.59      19.06       0.34     3.48     16
  24       H     0.10    -0.58     8.14      -2.39      -0.02    -0.60     16
  25       H     0.08    -0.20     8.14      -2.39      -0.02    -0.22     16
  26       H     0.04     0.44     8.14      -2.39      -0.02     0.43     16
  27       H     0.10    -0.61     8.14      -2.39      -0.02    -0.63     16
  28       H     0.07     0.10     7.75      -2.39      -0.02     0.08     16
  29       H     0.16    -4.26     8.14      -2.39      -0.02    -4.28     16
  30       H     0.19    -5.75     8.14      -2.39      -0.02    -5.77     16
  31       H     0.48    -7.83     8.84     -96.74      -0.85    -8.68     16
  32       H     0.26    -3.16     7.62      -2.91      -0.02    -3.19     16
  33       H     0.23     1.37     8.06      -2.91      -0.02     1.34     16
  34       H     0.12     7.29     7.40      -2.91      -0.02     7.27     16
  35       H     0.13     7.56     6.96      -2.91      -0.02     7.54     16
 Total:         -1.00  -288.07   337.44                  0.28  -287.79