REAL300007684423.mol2 36                                                        
   1       C    -0.15    -2.64     8.82      37.16       0.33    -2.31     16
   2       C    -0.07    -1.23     2.06     -90.62      -0.19    -1.42     16
   3       C     0.11     1.22     5.61      -4.05      -0.02     1.20     16
   4       N    -1.10   -10.24     5.53     -10.62      -0.06   -10.30     16
   5       S     2.69    22.87     5.74    -107.50      -0.62    22.25     16
   6       O    -0.94   -10.42    17.28     -57.17      -0.99   -11.40     16
   7       O    -0.93    -9.57    16.76     -57.17      -0.96   -10.52     16
   8       C    -0.63    -3.84     5.95     -39.58      -0.24    -4.07     16
   9       C    -0.01    -0.02     9.52     -39.59      -0.38    -0.39     16
  10       C    -0.08    -0.12    10.05     -39.59      -0.40    -0.52     16
  11       C    -0.06    -0.27     8.62     -39.58      -0.34    -0.61     16
  12       C     0.35     3.03     4.82     -39.58      -0.19     2.84     16
  13       F    -0.12    -2.27    16.66       2.25       0.04    -2.24     16
  14       F    -0.18    -2.51    15.31       2.25       0.03    -2.47     16
  15       F    -0.16    -2.46    15.31       2.25       0.03    -2.42     16
  16       F    -0.17    -2.51    15.32       2.25       0.03    -2.47     16
  17       F    -0.16    -2.45    15.31       2.25       0.03    -2.42     16
  18       C    -0.01    -0.10     8.10     -39.58      -0.32    -0.42     16
  19       C    -0.18    -3.91     5.25     -27.88      -0.15    -4.06     16
  20       C     0.49    15.01     7.77      36.01       0.28    15.29     16
  21       O    -0.69   -22.49    14.86     -20.23      -0.30   -22.79     16
  22       O    -0.71   -24.51    18.00     -20.23      -0.36   -24.87     16
  23       H     0.04     0.58     7.54     -51.93      -0.39     0.19     16
  24       H     0.09     2.02     5.94     -51.93      -0.31     1.72     16
  25       H     0.04     0.68     8.14     -51.93      -0.42     0.26     16
  26       H     0.08     1.48     7.95     -51.93      -0.41     1.07     16
  27       H     0.08     0.82     7.75     -51.93      -0.40     0.42     16
  28       H     0.06     0.55     8.14     -51.93      -0.42     0.12     16
  29       H     0.43     3.75     8.37     -34.47      -0.29     3.46     16
  30       H     0.18     0.20     7.62     -52.48      -0.40    -0.20     16
  31       H     0.19    -0.45     8.06     -52.48      -0.42    -0.88     16
  32       H     0.19     0.58     7.40     -52.49      -0.39     0.19     16
  33       H     0.20     1.54     6.96     -52.48      -0.37     1.17     16
  34       H     0.06     1.15     8.14     -51.93      -0.42     0.73     16
  35       H     0.06     1.24     8.14     -51.93      -0.42     0.81     16
 Total:         -1.00   -45.28   332.80                 -4.78   -50.06