REAL300008287703.mol2 37                                                        
   1       C     0.08     1.04    10.73      59.85       0.64     1.68     16
   2       N    -0.94   -15.54     2.73    -107.75      -0.29   -15.84     16
   3       C     0.15     2.61     1.29    -131.82      -0.17     2.44     16
   4       C    -0.16    -3.51     5.88     -27.89      -0.16    -3.67     16
   5       C     0.50    15.11     7.99      36.00       0.29    15.40     16
   6       O    -0.69   -21.43    11.86     -28.80      -0.34   -21.77     16
   7       O    -0.70   -24.06    18.00     -20.23      -0.36   -24.42     16
   8       C    -0.16    -2.39     8.59     -26.73      -0.23    -2.62     16
   9       C    -0.20    -2.45    10.16     -26.73      -0.27    -2.72     16
  10       S     2.72    47.49     3.48    -107.50      -0.37    47.12     16
  11       O    -0.90   -18.80    12.16     -66.83      -0.81   -19.61     16
  12       O    -0.94   -18.87    16.35     -60.92      -1.00   -19.87     16
  13       C    -0.68    -7.47     5.97     -39.59      -0.24    -7.70     16
  14       C     0.02     0.19     9.52     -39.58      -0.38    -0.18     16
  15       C    -0.13    -0.99     8.62     -39.58      -0.34    -1.33     16
  16       C     0.37     3.82     4.82     -39.58      -0.19     3.63     16
  17       F    -0.11    -1.92    16.66       2.25       0.04    -1.88     16
  18       F    -0.20    -3.13    15.32       2.25       0.03    -3.09     16
  19       F    -0.06    -0.80    15.30       2.25       0.03    -0.76     16
  20       F    -0.28    -4.76    15.31       2.25       0.03    -4.73     16
  21       F    -0.11    -1.47    15.32       2.25       0.03    -1.43     16
  22       C    -0.12    -1.10     8.62     -39.58      -0.34    -1.44     16
  23       C     0.02     0.23     9.17     -39.59      -0.36    -0.13     16
  24       H     0.05     0.39     8.14     -51.93      -0.42    -0.03     16
  25       H     0.08     0.90     7.30     -51.93      -0.38     0.52     16
  26       H     0.08     0.98     8.07     -51.93      -0.42     0.56     16
  27       H     0.07     1.50     8.09     -51.93      -0.42     1.08     16
  28       H     0.07     1.37     8.14     -51.93      -0.42     0.95     16
  29       H     0.11     1.66     8.14     -51.93      -0.42     1.24     16
  30       H     0.09     1.16     5.33     -51.93      -0.28     0.88     16
  31       H     0.09     0.95     8.14     -51.93      -0.42     0.53     16
  32       H     0.10     1.15     8.14     -51.93      -0.42     0.72     16
  33       H     0.19     1.07     7.75     -52.48      -0.41     0.67     16
  34       H     0.18     0.95     7.40     -52.49      -0.39     0.56     16
  35       H     0.19     1.54     7.40     -52.49      -0.39     1.15     16
  36       H     0.19     1.51     6.27     -52.49      -0.33     1.18     16
 Total:         -1.00   -43.05   332.17                 -4.88   -47.93