REAL300008216892.mol2 37                                                        
   1       C     0.03     0.31    11.01     101.05       1.11     1.42     16
   2       O    -0.38    -5.30     9.88     -35.23      -0.35    -5.65     16
   3       C     0.04     0.51     5.77      37.16       0.21     0.72     16
   4       C     0.18     2.83     2.13     -67.93      -0.14     2.69     16
   5       H     0.10     1.35     6.36     -51.93      -0.33     1.02     16
   6       C    -0.19    -3.83     5.08     -27.89      -0.14    -3.97     16
   7       C     0.49    13.43     7.87      36.01       0.28    13.71     16
   8       O    -0.70   -18.29    14.67     -20.22      -0.30   -18.59     16
   9       O    -0.70   -22.98    18.00     -20.23      -0.36   -23.35     16
  10       N    -1.07   -16.83     4.74      -4.89      -0.02   -16.85     16
  11       S     2.70    39.49     5.65    -107.50      -0.61    38.89     16
  12       O    -0.95   -16.03    17.17     -57.17      -0.98   -17.01     16
  13       O    -0.95   -13.38    16.55     -57.17      -0.95   -14.33     16
  14       C    -0.60    -8.56     4.36     -39.58      -0.17    -8.73     16
  15       C     0.00     0.03     8.58     -39.58      -0.34    -0.31     16
  16       C    -0.08    -0.74    10.05     -39.58      -0.40    -1.14     16
  17       C    -0.06    -0.74     8.62     -39.58      -0.34    -1.09     16
  18       C     0.36     6.17     4.82     -39.59      -0.19     5.98     16
  19       F    -0.15    -3.75    16.66       2.25       0.04    -3.71     16
  20       F    -0.20    -4.01    15.31       2.25       0.03    -3.98     16
  21       F    -0.12    -2.87    15.31       2.25       0.03    -2.83     16
  22       F    -0.16    -3.49    15.31       2.25       0.03    -3.45     16
  23       F    -0.18    -3.90    15.32       2.25       0.03    -3.87     16
  24       C     0.01     0.16     7.90     -39.58      -0.31    -0.15     16
  25       H     0.08     0.74     8.14     -51.93      -0.42     0.31     16
  26       H     0.04     0.34     8.14     -51.92      -0.42    -0.08     16
  27       H     0.04     0.35     8.14     -51.93      -0.42    -0.07     16
  28       H     0.06     0.74     7.48     -51.93      -0.39     0.35     16
  29       H     0.06     0.64     8.14     -51.93      -0.42     0.22     16
  30       H     0.07     1.33     8.14     -51.93      -0.42     0.90     16
  31       H     0.08     1.56     7.74     -51.93      -0.40     1.16     16
  32       H     0.42     6.57     8.83     -34.47      -0.30     6.26     16
  33       H     0.17     1.26     7.49     -52.49      -0.39     0.87     16
  34       H     0.18     0.78     8.06     -52.48      -0.42     0.36     16
  35       H     0.18     1.92     7.40     -52.48      -0.39     1.53     16
  36       H     0.19     3.17     6.86     -52.48      -0.36     2.81     16
 Total:         -1.00   -41.03   341.69                 -3.78   -44.80