REAL300017834662.mol2 37                                                        
   1       C    -0.12    -1.56     9.21      37.16       0.34    -1.22     16
   2       C    -0.14    -2.51     6.11     -90.62      -0.55    -3.06     16
   3       H     0.10     2.04     8.14     -51.93      -0.42     1.62     16
   4       C    -0.16    -2.98     9.50     -26.69      -0.25    -3.23     16
   5       C    -0.18    -4.00     2.35    -155.63      -0.37    -4.36     16
   6       C     0.17     2.79     5.38      -4.04      -0.02     2.77     16
   7       N    -1.09   -18.76     5.62     -10.61      -0.06   -18.82     16
   8       S     2.69    37.94     5.74    -107.50      -0.62    37.32     16
   9       O    -0.94   -15.73    17.28     -57.17      -0.99   -16.72     16
  10       O    -0.93   -14.42    16.76     -57.17      -0.96   -15.38     16
  11       C    -0.63    -6.05     5.95     -39.59      -0.24    -6.29     16
  12       C    -0.01    -0.04     9.52     -39.58      -0.38    -0.42     16
  13       C    -0.09    -0.31    10.05     -39.59      -0.40    -0.71     16
  14       C    -0.06    -0.39     8.62     -39.58      -0.34    -0.73     16
  15       C     0.34     3.61     4.82     -39.58      -0.19     3.42     16
  16       F     0.00    -0.05    16.66       2.25       0.04    -0.01     16
  17       F    -0.24    -3.62    15.31       2.25       0.03    -3.58     16
  18       F    -0.22    -3.65    15.30       2.25       0.03    -3.62     16
  19       F    -0.18    -2.80    15.31       2.25       0.03    -2.76     16
  20       F    -0.11    -1.79    15.31       2.25       0.03    -1.76     16
  21       C    -0.01    -0.11     8.10     -39.58      -0.32    -0.43     16
  22       C     0.53    15.70     6.08      36.00       0.22    15.91     16
  23       O    -0.69   -22.37    17.28     -20.23      -0.35   -22.72     16
  24       O    -0.68   -22.94    18.00     -20.23      -0.36   -23.30     16
  25       H     0.06     0.75     8.02     -51.93      -0.42     0.33     16
  26       H     0.06     0.64     8.14     -51.93      -0.42     0.22     16
  27       H     0.05     0.55     7.77     -51.93      -0.40     0.15     16
  28       H     0.08     1.27     7.96     -51.93      -0.41     0.85     16
  29       H     0.09     1.86     8.14     -51.93      -0.42     1.43     16
  30       H     0.08     1.27     7.63     -51.93      -0.40     0.87     16
  31       H     0.06     0.67     7.77     -51.93      -0.40     0.27     16
  32       H     0.44     8.73     7.27     -34.47      -0.25     8.48     16
  33       H     0.18     0.68     7.62     -52.48      -0.40     0.28     16
  34       H     0.18    -0.13     8.06     -52.49      -0.42    -0.55     16
  35       H     0.18     0.90     7.40     -52.48      -0.39     0.51     16
  36       H     0.19     2.13     6.96     -52.49      -0.37     1.77     16
 Total:         -1.00   -42.69   345.15                 -5.58   -48.27