REAL300017544028.mol2 36                                                        
   1       C    -0.18    -2.03     9.77      37.15       0.36    -1.66     16
   2       C     0.11     1.73     5.42      -4.04      -0.02     1.70     16
   3       N    -0.95   -16.29     2.52    -108.54      -0.27   -16.56     16
   4       C     0.07     1.44     3.07     -69.08      -0.21     1.23     16
   5       C    -0.14    -2.34     7.71      37.16       0.29    -2.06     16
   6       C     0.50    14.29     7.20      36.00       0.26    14.55     16
   7       O    -0.69   -22.52    18.00     -20.23      -0.36   -22.89     16
   8       O    -0.68   -21.11    15.42     -20.23      -0.31   -21.42     16
   9       S     2.68    40.12     5.67    -107.50      -0.61    39.51     16
  10       O    -0.94   -16.85    15.91     -57.17      -0.91   -17.76     16
  11       O    -0.94   -15.09    15.85     -57.17      -0.91   -16.00     16
  12       C    -0.67    -6.65     5.97     -39.58      -0.24    -6.88     16
  13       C     0.03     0.24     8.22     -39.58      -0.33    -0.08     16
  14       C    -0.13    -1.03     8.62     -39.58      -0.34    -1.37     16
  15       C     0.41     4.19     4.82     -39.58      -0.19     4.00     16
  16       F    -0.01    -0.19    16.66       2.25       0.04    -0.16     16
  17       F    -0.22    -3.38    15.31       2.25       0.03    -3.35     16
  18       F    -0.24    -3.64    15.32       2.25       0.03    -3.60     16
  19       F    -0.18    -2.81    15.32       2.25       0.03    -2.77     16
  20       F    -0.12    -1.72    15.31       2.25       0.03    -1.69     16
  21       C    -0.13    -1.11     8.62     -39.58      -0.34    -1.45     16
  22       C     0.03     0.29     9.52     -39.58      -0.38    -0.09     16
  23       H     0.04     0.36     6.78     -51.93      -0.35     0.01     16
  24       H     0.07     0.62     8.14     -51.93      -0.42     0.20     16
  25       H     0.07     0.80     5.23     -51.93      -0.27     0.53     16
  26       H     0.11     2.13     6.39     -51.93      -0.33     1.80     16
  27       H     0.08     1.22     6.94     -51.93      -0.36     0.86     16
  28       H     0.09     1.78     7.03     -51.93      -0.36     1.41     16
  29       H     0.06     1.03     6.61     -51.93      -0.34     0.68     16
  30       H     0.07     1.18     8.14     -51.93      -0.42     0.75     16
  31       H     0.05     0.58     7.76     -51.93      -0.40     0.18     16
  32       H     0.19     1.02     7.62     -52.49      -0.40     0.62     16
  33       H     0.19     1.15     7.40     -52.48      -0.39     0.76     16
  34       H     0.19     1.36     7.40     -52.49      -0.39     0.97     16
  35       H     0.19     1.32     7.62     -52.49      -0.40     0.92     16
 Total:         -1.00   -39.93   323.29                 -4.31   -44.24