REAL300008367125.mol2 37                                                        
   1       O    -0.75   -53.28    18.00      19.05       0.34   -52.94     16
   2       C     0.47    29.05     6.81      71.23       0.49    29.54     16
   3       O    -0.73   -48.42    16.96      19.04       0.32   -48.10     16
   4       C    -0.15    -6.29     3.12     -10.82      -0.03    -6.32     16
   5       H     0.08     3.22     7.74      -2.39      -0.02     3.21     16
   6       C    -0.11    -3.61     6.35      31.67       0.20    -3.41     16
   7       C    -0.11    -2.20     6.91      31.89       0.22    -1.98     16
   8       C    -0.14    -2.87     6.54      31.71       0.21    -2.66     16
   9       C     0.16     4.81     3.08      45.75       0.14     4.95     16
  10       H     0.08     2.92     6.47      -2.39      -0.02     2.90     16
  11       N    -1.09   -22.93     5.42    -166.23      -0.90   -23.83     16
  12       S     2.71    52.17     5.72     -56.49      -0.32    51.85     16
  13       O    -0.95   -18.68    17.28    -128.00      -2.21   -20.90     16
  14       O    -0.98   -29.15    16.65    -128.00      -2.13   -31.29     16
  15       C    -0.67    -7.25     5.39      22.27       0.12    -7.13     16
  16       C     0.05     0.54     9.52      22.27       0.21     0.75     16
  17       C    -0.12    -1.51     8.62      22.27       0.19    -1.31     16
  18       C     0.39     5.71     4.82      22.27       0.11     5.82     16
  19       F    -0.21    -7.74    16.66      44.97       0.75    -6.99     16
  20       F    -0.15    -4.05    15.31      44.97       0.69    -3.36     16
  21       F    -0.17    -4.82    15.31      44.97       0.69    -4.13     16
  22       F    -0.16    -4.30    15.31      44.97       0.69    -3.61     16
  23       F    -0.16    -4.58    15.32      44.97       0.69    -3.90     16
  24       C    -0.12    -0.86     8.62      22.27       0.19    -0.67     16
  25       C     0.07     0.30     9.52      22.27       0.21     0.52     16
  26       H     0.04     1.52     7.85      -2.39      -0.02     1.50     16
  27       H     0.07     2.23     8.14      -2.39      -0.02     2.21     16
  28       H     0.08     1.50     8.14      -2.39      -0.02     1.48     16
  29       H     0.10     1.44     8.14      -2.39      -0.02     1.42     16
  30       H     0.08     1.73     8.14      -2.39      -0.02     1.71     16
  31       H     0.11     1.24     7.48      -2.39      -0.02     1.22     16
  32       H     0.43     6.78     8.64     -96.75      -0.84     5.94     16
  33       H     0.20     2.25     7.62      -2.91      -0.02     2.23     16
  34       H     0.20     2.16     7.40      -2.91      -0.02     2.13     16
  35       H     0.21     0.74     7.40      -2.91      -0.02     0.72     16
  36       H     0.23    -0.66     7.62      -2.91      -0.02    -0.68     16
 Total:         -1.00  -102.90   338.02                 -0.21  -103.11