REAL300007605065.mol2 36                                                        
   1       C    -0.14    -2.57     7.76      37.16       0.29    -2.28     16
   2       C     0.14     2.13     3.24     -67.93      -0.22     1.91     16
   3       C    -0.17    -1.88     9.16      37.16       0.34    -1.54     16
   4       N    -0.95   -16.25     2.35    -108.57      -0.26   -16.51     16
   5       C     0.05     1.02     5.48      -5.19      -0.03     0.99     16
   6       C     0.49    14.06     6.93      36.01       0.25    14.31     16
   7       O    -0.67   -20.92    14.31     -20.23      -0.29   -21.21     16
   8       O    -0.70   -23.14    18.00     -20.23      -0.36   -23.51     16
   9       S     2.68    41.78     5.63    -107.50      -0.61    41.18     16
  10       O    -0.93   -17.86    16.25     -57.17      -0.93   -18.79     16
  11       O    -0.94   -15.54    15.85     -57.17      -0.91   -16.44     16
  12       C    -0.67    -6.81     5.97     -39.58      -0.24    -7.05     16
  13       C     0.03     0.24     9.52     -39.58      -0.38    -0.14     16
  14       C    -0.13    -1.06     8.62     -39.59      -0.34    -1.40     16
  15       C     0.41     4.21     4.82     -39.59      -0.19     4.02     16
  16       F    -0.01    -0.19    16.66       2.25       0.04    -0.15     16
  17       F    -0.23    -3.59    15.31       2.25       0.03    -3.55     16
  18       F    -0.23    -3.46    15.31       2.25       0.03    -3.42     16
  19       F    -0.12    -1.74    15.31       2.25       0.03    -1.71     16
  20       F    -0.18    -2.78    15.31       2.25       0.03    -2.75     16
  21       C    -0.13    -1.10     8.62     -39.58      -0.34    -1.44     16
  22       C     0.03     0.29     9.52     -39.58      -0.38    -0.08     16
  23       H     0.04     0.64     8.14     -51.93      -0.42     0.22     16
  24       H     0.08     1.73     6.94     -51.93      -0.36     1.37     16
  25       H     0.06     1.34     6.53     -51.93      -0.34     1.00     16
  26       H     0.09     1.13     6.91     -51.93      -0.36     0.77     16
  27       H     0.06     0.82     6.69     -51.93      -0.35     0.47     16
  28       H     0.05     0.47     8.14     -51.93      -0.42     0.05     16
  29       H     0.07     0.64     8.14     -51.93      -0.42     0.21     16
  30       H     0.08     1.39     7.61     -51.93      -0.40     1.00     16
  31       H     0.08     1.46     6.45     -51.93      -0.33     1.12     16
  32       H     0.19     0.99     7.62     -52.49      -0.40     0.59     16
  33       H     0.19     1.22     7.40     -52.49      -0.39     0.83     16
  34       H     0.19     1.30     7.40     -52.48      -0.39     0.91     16
  35       H     0.19     1.39     7.62     -52.49      -0.40     1.00     16
 Total:         -1.00   -40.63   325.54                 -4.48   -45.11