REAL300007715253.mol2 36                                                        
   1       C    -0.17    -2.78     8.77      37.16       0.33    -2.45     16
   2       C     0.16     2.78     2.33     -67.93      -0.16     2.62     16
   3       N    -1.10   -14.30     5.44      -4.89      -0.03   -14.32     16
   4       S     2.69    32.30     5.72    -107.50      -0.61    31.68     16
   5       O    -0.95   -12.93    17.28     -57.17      -0.99   -13.92     16
   6       O    -0.93   -13.32    16.63     -57.17      -0.95   -14.27     16
   7       C    -0.63    -6.05     5.07     -39.58      -0.20    -6.25     16
   8       C     0.00     0.00     8.56     -39.58      -0.34    -0.34     16
   9       C    -0.08    -0.40    10.05     -39.58      -0.40    -0.80     16
  10       C    -0.06    -0.42     8.62     -39.58      -0.34    -0.76     16
  11       C     0.34     3.62     4.82     -39.58      -0.19     3.43     16
  12       F    -0.01    -0.18    16.66       2.25       0.04    -0.14     16
  13       F    -0.13    -1.82    15.31       2.25       0.03    -1.79     16
  14       F    -0.17    -2.79    15.31       2.25       0.03    -2.76     16
  15       F    -0.24    -3.67    15.32       2.25       0.03    -3.64     16
  16       F    -0.22    -3.48    15.31       2.25       0.03    -3.45     16
  17       C    -0.01    -0.13     8.10     -39.58      -0.32    -0.45     16
  18       C    -0.16    -3.48     2.78     -91.77      -0.25    -3.74     16
  19       C    -0.13    -2.36     8.49      37.16       0.32    -2.05     16
  20       C     0.50    14.56     7.10      36.01       0.26    14.81     16
  21       O    -0.69   -20.96    14.86     -20.23      -0.30   -21.26     16
  22       O    -0.69   -22.97    17.83     -20.23      -0.36   -23.33     16
  23       H     0.03     0.42     6.15     -51.93      -0.32     0.10     16
  24       H     0.11     2.10     5.94     -51.93      -0.31     1.79     16
  25       H     0.06     0.85     6.34     -51.93      -0.33     0.52     16
  26       H     0.10     1.70     7.31     -51.93      -0.38     1.32     16
  27       H     0.42     4.73     7.32     -34.47      -0.25     4.48     16
  28       H     0.18     1.13     7.62     -52.49      -0.40     0.73     16
  29       H     0.19     0.19     8.06     -52.48      -0.42    -0.23     16
  30       H     0.18     0.96     7.40     -52.49      -0.39     0.57     16
  31       H     0.19     1.95     6.96     -52.48      -0.37     1.59     16
  32       H     0.07     1.53     8.14     -51.93      -0.42     1.10     16
  33       H     0.04     0.55     6.73     -51.93      -0.35     0.20     16
  34       H     0.05     0.99     6.34     -51.93      -0.33     0.66     16
  35       H     0.06     1.19     8.09     -51.93      -0.42     0.77     16
 Total:         -1.00   -40.49   322.76                 -4.20   -44.69