REAL300009850864.mol2 48                                                        
   1       O    -0.67   -20.07    15.83     -20.22      -0.32   -20.39     16
   2       C     0.52    14.30     5.36      36.00       0.19    14.50     16
   3       O    -0.67   -20.71    17.76     -20.23      -0.36   -21.07     16
   4       C    -0.17    -3.59     0.42    -157.23      -0.07    -3.65     16
   5       C     0.57    11.47     3.93     -10.99      -0.04    11.42     16
   6       O    -0.55   -11.72    13.62       5.56       0.08   -11.65     16
   7       N    -0.60    -9.91     2.78    -170.61      -0.48   -10.39     16
   8       C     0.10     1.42     4.65      -2.20      -0.01     1.41     16
   9       C    -0.11    -1.18     6.27     -24.97      -0.16    -1.33     16
  10       C    -0.09    -0.76     0.93    -154.49      -0.14    -0.91     16
  11       C    -0.12    -0.79     6.87     -26.45      -0.18    -0.97     16
  12       C    -0.17    -0.82     3.18     -89.59      -0.29    -1.11     16
  13       C     0.39     1.65     9.53      37.16       0.35     2.00     16
  14       O    -0.71   -10.76    16.53     -57.73      -0.95   -11.72     16
  15       O    -0.74   -12.15    17.78     -57.73      -1.03   -13.18     16
  16       C    -0.09    -0.36     6.96     -26.46      -0.18    -0.54     16
  17       C     0.13     1.52     6.37      -3.53      -0.02     1.50     16
  18       C    -0.06    -1.30     4.23     -26.96      -0.11    -1.41     16
  19       C    -0.61   -10.21     5.98      37.14       0.22    -9.99     16
  20       S     2.41    38.88     5.30    -107.50      -0.57    38.31     16
  21       O    -0.94   -17.53    17.94     -57.82      -1.04   -18.56     16
  22       O    -0.96   -17.30    18.11     -57.82      -1.05   -18.34     16
  23       C    -0.61    -8.80     5.99      37.17       0.22    -8.57     16
  24       C    -0.10    -1.69     3.89     -26.92      -0.10    -1.79     16
  25       H     0.07     0.81     7.48     -51.93      -0.39     0.42     16
  26       H     0.10     1.79     4.87     -51.93      -0.25     1.54     16
  27       H     0.09     1.09     8.14     -51.93      -0.42     0.67     16
  28       H     0.08     0.75     8.06     -51.93      -0.42     0.33     16
  29       H     0.09     0.51     7.77     -51.93      -0.40     0.11     16
  30       H     0.09     0.79     8.12     -51.93      -0.42     0.37     16
  31       H     0.15     0.96     7.73     -51.93      -0.40     0.56     16
  32       H     0.14     0.06     8.14     -51.93      -0.42    -0.36     16
  33       H     0.14     0.15     7.85     -51.93      -0.41    -0.26     16
  34       H     0.33     4.55     8.90      45.56       0.41     4.95     16
  35       H     0.33     4.75     8.90      45.56       0.41     5.16     16
  36       H     0.10     0.39     8.12     -51.93      -0.42    -0.03     16
  37       H     0.10     0.18     8.10     -51.92      -0.42    -0.24     16
  38       H     0.07     0.95     8.09     -51.93      -0.42     0.53     16
  39       H     0.07     0.75     7.86     -51.93      -0.41     0.34     16
  40       H     0.09     1.82     8.09     -51.93      -0.42     1.40     16
  41       H     0.09     1.79     8.01     -51.93      -0.42     1.38     16
  42       H     0.13     1.79     8.14     -51.93      -0.42     1.37     16
  43       H     0.17     2.89     4.89     -52.00      -0.25     2.63     16
  44       H     0.14     1.52     8.14     -51.93      -0.42     1.10     16
  45       H     0.12     1.71     6.59     -51.93      -0.34     1.37     16
  46       H     0.10     1.79     8.01     -51.93      -0.42     1.38     16
  47       H     0.09     1.57     4.45     -51.93      -0.23     1.34     16
 Total:         -1.00   -47.02   374.69                 -7.71   -54.73