REAL300007595986.mol2 37                                                        
   1       O    -0.70   -37.81    11.50      26.33       0.30   -37.51     16
   2       C     0.49    26.72     4.19      71.24       0.30    27.01     16
   3       O    -0.73   -48.59    17.87      24.25       0.43   -48.15     16
   4       C     0.10     3.81     3.34      44.23       0.15     3.95     16
   5       C    -0.11    -3.56     5.33      30.67       0.16    -3.40     16
   6       C    -0.11    -2.22     5.88      30.62       0.18    -2.04     16
   7       C    -0.13    -1.90     6.08      30.67       0.19    -1.71     16
   8       C     0.10     1.83     6.37      86.36       0.55     2.38     16
   9       N    -0.97   -29.89     3.29    -494.63      -1.63   -31.52     16
  10       S     2.70    91.64     5.04     -56.49      -0.28    91.36     16
  11       O    -0.96   -45.96    12.59    -116.19      -1.46   -47.42     16
  12       O    -0.96   -29.57    16.61    -128.00      -2.13   -31.69     16
  13       C    -0.66   -17.92     5.66      22.27       0.13   -17.79     16
  14       C     0.05     0.88     9.56      22.27       0.21     1.10     16
  15       C    -0.12    -2.18     8.62      22.27       0.19    -1.99     16
  16       C     0.39    10.11     4.82      22.27       0.11    10.21     16
  17       F    -0.21    -9.15    16.66      44.97       0.75    -8.40     16
  18       F    -0.16    -6.27    15.31      44.97       0.69    -5.58     16
  19       F    -0.15    -5.15    15.31      44.97       0.69    -4.46     16
  20       F    -0.17    -6.18    15.31      44.97       0.69    -5.49     16
  21       F    -0.15    -5.14    15.32      44.97       0.69    -4.45     16
  22       C    -0.14    -3.81     8.62      22.27       0.19    -3.62     16
  23       C     0.09     2.64     7.85      22.27       0.17     2.81     16
  24       H     0.07     2.81     8.12      -2.39      -0.02     2.79     16
  25       H     0.06     1.87     8.14      -2.38      -0.02     1.85     16
  26       H     0.06     2.03     8.00      -2.39      -0.02     2.01     16
  27       H     0.07     1.30     8.14      -2.38      -0.02     1.28     16
  28       H     0.08     1.33     8.14      -2.39      -0.02     1.31     16
  29       H     0.11     0.86     8.14      -2.39      -0.02     0.84     16
  30       H     0.07     0.98     8.14      -2.39      -0.02     0.97     16
  31       H     0.09     1.45     8.14      -2.39      -0.02     1.43     16
  32       H     0.12     1.42     7.20      -2.39      -0.02     1.40     16
  33       H     0.23     1.39     8.04      -2.91      -0.02     1.37     16
  34       H     0.22     2.43     7.40      -2.91      -0.02     2.41     16
  35       H     0.19     4.91     7.40      -2.91      -0.02     4.89     16
  36       H     0.19     7.12     5.69      -2.91      -0.02     7.10     16
 Total:         -1.00   -87.79   321.83                  1.01   -86.78