REAL300007749409.mol2 39                                                        
   1       C    -0.17     2.75     9.91      71.98       0.71     3.47     16
   2       C    -0.15     3.74     5.67      30.60       0.17     3.91     16
   3       C    -0.16     5.18     4.33      30.60       0.13     5.31     16
   4       C     0.03    -1.18     2.43     -11.54      -0.03    -1.20     16
   5       C     0.05    -1.35     5.60      86.38       0.48    -0.87     16
   6       N    -1.06    19.17     5.76    -187.49      -1.08    18.09     16
   7       S     2.76    -1.61     5.74     -56.49      -0.32    -1.93     16
   8       O    -0.95    -7.90    17.28    -128.00      -2.21   -10.11     16
   9       O    -0.92     0.33    16.76    -128.00      -2.15    -1.81     16
  10       C    -0.71   -12.44     5.95      22.27       0.13   -12.31     16
  11       C     0.05     1.07     9.52      22.27       0.21     1.29     16
  12       C    -0.18    -9.60     8.62      22.27       0.19    -9.41     16
  13       C     0.48    35.72     4.82      22.27       0.11    35.83     16
  14       F    -0.34   -42.03    16.67      44.97       0.75   -41.28     16
  15       F    -0.58   -63.97    15.30      44.97       0.69   -63.28     16
  16       F    -0.59   -64.86    15.32      44.97       0.69   -64.17     16
  17       F    -0.60   -67.43    15.31      44.97       0.69   -66.74     16
  18       F    -0.57   -61.11    15.32      44.97       0.69   -60.42     16
  19       C    -0.19   -11.12     8.62      22.27       0.19   -10.93     16
  20       C     0.04     1.15     9.52      22.27       0.21     1.36     16
  21       C     0.53   -11.62     7.10      71.24       0.51   -11.11     16
  22       O    -0.23     3.34    14.86      19.03       0.28     3.63     16
  23       O    -0.23     3.66    15.78      19.05       0.30     3.96     16
  24       H     0.05    -0.60     8.14      -2.39      -0.02    -0.62     16
  25       H     0.05    -0.62     8.14      -2.39      -0.02    -0.64     16
  26       H     0.08    -1.41     8.14      -2.39      -0.02    -1.43     16
  27       H     0.08    -1.74     5.94      -2.39      -0.01    -1.75     16
  28       H     0.12    -3.59     8.14      -2.39      -0.02    -3.61     16
  29       H     0.24    -9.95     8.14      -2.39      -0.02    -9.97     16
  30       H     0.13    -3.91     7.95      -2.39      -0.02    -3.93     16
  31       H     0.30   -13.89     8.14      -2.39      -0.02   -13.91     16
  32       H     0.30   -11.69     7.75      -2.39      -0.02   -11.71     16
  33       H     0.19    -5.14     8.14      -2.39      -0.02    -5.16     16
  34       H     0.45    -9.54     6.66     -96.75      -0.64   -10.18     16
  35       H     0.25     1.11     7.62      -2.91      -0.02     1.09     16
  36       H     0.14     8.18     7.40      -2.91      -0.02     8.16     16
  37       H     0.12     8.16     7.40      -2.91      -0.02     8.14     16
  38       H     0.21     3.91     7.62      -2.91      -0.02     3.88     16
 Total:         -1.00  -320.82   351.54                  0.43  -320.38