REAL300020205313.mol2 33                                                        
   1       O    -0.52    -5.81    16.34       5.35       0.09    -5.72     16
   2       C     0.57     4.65     7.78     -12.22      -0.10     4.55     16
   3       N    -0.71    -5.80     5.50     -62.35      -0.34    -6.14     16
   4       C     0.21     2.09     6.25      -5.19      -0.03     2.06     16
   5       C     0.00     0.01     6.73     -13.54      -0.09    -0.08     16
   6       N    -0.42    -7.89    10.55      -8.41      -0.09    -7.98     16
   7       C     0.19     4.16     6.72     -84.61      -0.57     3.59     16
   8       C     0.10     2.84     8.14    -156.43      -1.27     1.57     16
   9       N    -0.35   -10.37    12.46      32.14       0.40    -9.97     16
  10       N    -0.19    -5.84    13.45      60.35       0.81    -5.03     16
  11       N    -0.19    -5.66    13.46      60.35       0.81    -4.85     16
  12       N    -0.37   -10.51    12.37      32.14       0.40   -10.11     16
  13       C    -0.22    -3.80    11.12      29.50       0.33    -3.47     16
  14       S     0.11     1.34    23.16    -107.50      -2.49    -1.15     16
  15       C    -0.12    -0.69     5.88    -104.89      -0.62    -1.31     16
  16       C    -0.04    -0.19     9.53     -39.23      -0.37    -0.56     16
  17       C    -0.11    -0.67     9.74     -39.30      -0.38    -1.05     16
  18       C     0.34     2.79     9.79     -38.76      -0.38     2.41     16
  19       O    -0.67    -9.70    17.23     -57.73      -0.99   -10.69     16
  20       O    -0.66    -9.77    17.23     -57.73      -0.99   -10.76     16
  21       C    -0.11    -0.65     9.74     -39.30      -0.38    -1.04     16
  22       C    -0.02    -0.08     9.58     -39.23      -0.38    -0.45     16
  23       H     0.40     2.66     6.49     -40.82      -0.26     2.39     16
  24       H     0.10     0.79     8.14     -51.93      -0.42     0.37     16
  25       H     0.10     1.18     8.14     -51.93      -0.42     0.76     16
  26       H     0.19     3.00     8.06     -52.48      -0.42     2.58     16
  27       H     0.17     0.39     6.39     -52.49      -0.34     0.06     16
  28       H     0.18     1.04     7.75     -52.48      -0.41     0.64     16
  29       H     0.33     3.94     8.90      45.56       0.41     4.35     16
  30       H     0.34     4.01     8.90      45.56       0.41     4.41     16
  31       H     0.18     0.94     7.75     -52.48      -0.41     0.53     16
  32       H     0.18     0.65     7.64     -52.49      -0.40     0.25     16
 Total:         -1.00   -40.92   320.91                 -4.08   -45.00