REAL300007725753.mol2 33                                                        
   1       C    -0.18    -1.69    10.24      37.16       0.38    -1.31     16
   2       C     0.11     1.58     6.39      -4.04      -0.03     1.55     16
   3       N    -0.95   -15.94     2.27    -115.66      -0.26   -16.20     16
   4       C     0.05     1.04     5.91      -5.20      -0.03     1.01     16
   5       C     0.48    14.23     8.12      36.00       0.29    14.52     16
   6       O    -0.68   -21.96    17.32     -20.22      -0.35   -22.31     16
   7       O    -0.70   -23.17    18.00     -20.23      -0.36   -23.53     16
   8       S     2.69    40.71     5.65    -107.50      -0.61    40.10     16
   9       O    -0.93   -17.52    16.25     -57.17      -0.93   -18.45     16
  10       O    -0.94   -15.11    15.84     -57.17      -0.91   -16.02     16
  11       C    -0.67    -6.38     5.97     -39.58      -0.24    -6.61     16
  12       C     0.03     0.23     8.40     -39.58      -0.33    -0.10     16
  13       C    -0.13    -0.96     8.62     -39.59      -0.34    -1.30     16
  14       C     0.42     4.07     4.82     -39.59      -0.19     3.88     16
  15       F    -0.13    -2.47    16.66       2.25       0.04    -2.43     16
  16       F    -0.17    -2.54    15.31       2.25       0.03    -2.51     16
  17       F    -0.17    -2.60    15.32       2.25       0.03    -2.57     16
  18       F    -0.17    -2.59    15.32       2.25       0.03    -2.56     16
  19       F    -0.17    -2.56    15.31       2.25       0.03    -2.53     16
  20       C    -0.13    -1.02     8.62     -39.58      -0.34    -1.36     16
  21       C     0.04     0.30     9.52     -39.58      -0.38    -0.08     16
  22       H     0.05     0.34     6.98     -51.93      -0.36    -0.02     16
  23       H     0.07     0.55     8.14     -51.93      -0.42     0.13     16
  24       H     0.06     0.62     8.14     -51.93      -0.42     0.20     16
  25       H     0.09     1.48     8.11     -51.93      -0.42     1.06     16
  26       H     0.09     1.17     6.91     -51.93      -0.36     0.81     16
  27       H     0.08     1.39     7.61     -51.92      -0.40     0.99     16
  28       H     0.08     1.42     8.11     -51.93      -0.42     1.00     16
  29       H     0.19     0.87     7.62     -52.49      -0.40     0.47     16
  30       H     0.19     1.06     7.40     -52.48      -0.39     0.68     16
  31       H     0.19     1.23     7.40     -52.48      -0.39     0.84     16
  32       H     0.20     1.27     7.61     -52.49      -0.40     0.87     16
 Total:         -1.00   -42.96   313.89                 -4.10   -47.05