REAL300008367125.mol2 37                                                        
   1       O    -0.69   -23.66    18.00     -20.23      -0.36   -24.02     16
   2       C     0.50    14.88     6.81      36.00       0.25    15.12     16
   3       O    -0.69   -22.16    16.96     -20.23      -0.34   -22.50     16
   4       C    -0.16    -3.33     3.12     -90.65      -0.28    -3.62     16
   5       H     0.07     1.50     7.74     -51.93      -0.40     1.10     16
   6       C    -0.10    -1.82     6.35     -25.06      -0.16    -1.98     16
   7       C    -0.12    -1.54     6.91     -24.73      -0.17    -1.71     16
   8       C    -0.14    -1.78     6.54     -25.01      -0.16    -1.95     16
   9       C     0.15     2.44     3.08     -66.75      -0.21     2.23     16
  10       H     0.11     2.03     6.47     -51.93      -0.34     1.70     16
  11       N    -1.09   -13.18     5.42      -3.89      -0.02   -13.20     16
  12       S     2.69    29.66     5.72    -107.50      -0.61    29.05     16
  13       O    -0.95   -11.16    17.28     -57.17      -0.99   -12.14     16
  14       O    -0.93   -14.10    16.65     -57.17      -0.95   -15.05     16
  15       C    -0.67    -5.03     5.39     -39.58      -0.21    -5.24     16
  16       C     0.04     0.29     9.52     -39.58      -0.38    -0.08     16
  17       C    -0.13    -0.95     8.62     -39.58      -0.34    -1.29     16
  18       C     0.42     3.82     4.82     -39.58      -0.19     3.62     16
  19       F    -0.13    -2.38    16.66       2.25       0.04    -2.35     16
  20       F    -0.17    -2.54    15.31       2.25       0.03    -2.51     16
  21       F    -0.17    -2.50    15.31       2.25       0.03    -2.47     16
  22       F    -0.17    -2.54    15.31       2.25       0.03    -2.50     16
  23       F    -0.16    -2.45    15.32       2.25       0.03    -2.42     16
  24       C    -0.13    -0.83     8.62     -39.58      -0.34    -1.17     16
  25       C     0.04     0.19     9.52     -39.59      -0.38    -0.19     16
  26       H     0.07     1.38     7.85     -51.93      -0.41     0.97     16
  27       H     0.06     0.99     8.14     -51.93      -0.42     0.57     16
  28       H     0.06     0.73     8.14     -51.93      -0.42     0.31     16
  29       H     0.06     0.68     8.14     -51.93      -0.42     0.26     16
  30       H     0.08     1.06     8.14     -51.93      -0.42     0.64     16
  31       H     0.06     0.53     7.48     -51.93      -0.39     0.14     16
  32       H     0.42     4.12     8.64     -34.46      -0.30     3.83     16
  33       H     0.20     1.24     7.62     -52.49      -0.40     0.84     16
  34       H     0.19     1.21     7.40     -52.49      -0.39     0.82     16
  35       H     0.19     0.90     7.40     -52.49      -0.39     0.51     16
  36       H     0.19     0.46     7.62     -52.48      -0.40     0.06     16
 Total:         -1.00   -43.82   338.02                 -5.69   -49.51