REAL300017179638.mol2 37                                                        
   1       O    -0.70   -22.07    15.81     -20.23      -0.32   -22.39     16
   2       C     0.50    15.22     7.84      36.01       0.28    15.50     16
   3       O    -0.70   -24.45    18.00     -20.22      -0.36   -24.81     16
   4       C    -0.22    -4.95     5.30     -27.88      -0.15    -5.10     16
   5       C     0.17     2.96     2.68     -66.96      -0.18     2.78     16
   6       H     0.08     1.44     7.86     -51.93      -0.41     1.04     16
   7       C    -0.10    -1.64     5.56     -24.90      -0.14    -1.78     16
   8       C    -0.14    -1.38     7.08     -24.58      -0.17    -1.55     16
   9       C     0.12     1.15     7.05      -2.35      -0.02     1.13     16
  10       N    -1.00   -12.62     3.41    -104.18      -0.36   -12.97     16
  11       S     2.70    31.40     5.87    -107.50      -0.63    30.77     16
  12       O    -0.92   -14.15    14.42     -57.17      -0.82   -14.97     16
  13       O    -0.94   -11.58    16.95     -57.17      -0.97   -12.55     16
  14       C    -0.67    -5.27     5.97     -39.58      -0.24    -5.51     16
  15       C     0.03     0.18     9.52     -39.58      -0.38    -0.20     16
  16       C    -0.13    -0.84     8.62     -39.58      -0.34    -1.18     16
  17       C     0.42     3.88     4.82     -39.59      -0.19     3.69     16
  18       F    -0.13    -2.37    16.66       2.25       0.04    -2.34     16
  19       F    -0.16    -2.46    15.31       2.25       0.03    -2.43     16
  20       F    -0.17    -2.56    15.32       2.25       0.03    -2.53     16
  21       F    -0.17    -2.53    15.32       2.25       0.03    -2.50     16
  22       F    -0.17    -2.51    15.31       2.25       0.03    -2.48     16
  23       C    -0.13    -0.98     8.62     -39.59      -0.34    -1.32     16
  24       C     0.04     0.31     9.52     -39.58      -0.38    -0.07     16
  25       H     0.09     1.99     5.59     -51.93      -0.29     1.70     16
  26       H     0.06     1.36     7.98     -51.93      -0.41     0.95     16
  27       H     0.07     1.20     7.74     -51.93      -0.40     0.80     16
  28       H     0.09     1.60     7.77     -51.93      -0.40     1.20     16
  29       H     0.08     0.67     8.14     -51.93      -0.42     0.24     16
  30       H     0.07     0.65     8.14     -51.93      -0.42     0.23     16
  31       H     0.08     0.71     8.14     -51.93      -0.42     0.29     16
  32       H     0.07     0.42     8.14     -51.93      -0.42     0.00     16
  33       H     0.19     0.49     7.62     -52.49      -0.40     0.09     16
  34       H     0.19     0.90     7.40     -52.49      -0.39     0.51     16
  35       H     0.19     1.25     7.40     -52.49      -0.39     0.86     16
  36       H     0.20     1.26     7.61     -52.49      -0.40     0.86     16
 Total:         -1.00   -43.30   334.50                 -5.67   -48.97