REAL300030909875.mol2 45                                                        
   1       C    -0.16    -2.00     9.33      37.16       0.35    -1.65     16
   2       C     0.14     1.72     2.21     -67.93      -0.15     1.57     16
   3       N    -0.72    -7.74     4.38     -53.81      -0.24    -7.97     16
   4       C     0.52     6.56     7.68     -10.98      -0.08     6.48     16
   5       O    -0.52    -9.00    15.10      -8.08      -0.12    -9.12     16
   6       C    -0.16    -1.47     5.39     -27.88      -0.15    -1.62     16
   7       C     0.14     1.57     3.12     -27.98      -0.09     1.48     16
   8       O    -0.40    -6.96    13.97     -63.29      -0.88    -7.84     16
   9       O    -0.62   -11.08    18.54     -56.58      -1.05   -12.13     16
  10       C     0.24     2.39    10.27     -38.81      -0.40     1.99     16
  11       C    -0.13    -0.75    10.09     -39.33      -0.40    -1.14     16
  12       C    -0.08    -0.23    10.04     -39.59      -0.40    -0.63     16
  13       C    -0.11    -0.25    10.04     -39.48      -0.40    -0.65     16
  14       C    -0.10    -0.38    10.04     -39.63      -0.40    -0.78     16
  15       C    -0.08    -0.65     5.56    -104.35      -0.58    -1.23     16
  16       C     0.14     1.97     2.21     -67.93      -0.15     1.82     16
  17       C    -0.16    -2.23     9.33      37.16       0.35    -1.88     16
  18       N    -0.72   -12.31     4.38     -54.86      -0.24   -12.55     16
  19       C     0.61    13.78     7.77     -12.48      -0.10    13.68     16
  20       O    -0.50   -13.06    15.38     -13.00      -0.20   -13.26     16
  21       C    -0.04    -0.88     6.69     -83.92      -0.56    -1.44     16
  22       N    -0.50   -10.74    10.83      24.02       0.26   -10.48     16
  23       S     0.44     9.03    24.20    -107.50      -2.60     6.43     16
  24       N    -0.59   -15.68    12.18      28.49       0.35   -15.34     16
  25       C     0.38    11.05     8.19     -17.49      -0.14    10.90     16
  26       O    -0.62   -21.07    17.64     -37.38      -0.66   -21.73     16
  27       H     0.06     0.69     8.14     -51.93      -0.42     0.27     16
  28       H     0.06     0.78     8.14     -51.93      -0.42     0.36     16
  29       H     0.07     0.92     7.45     -51.93      -0.39     0.53     16
  30       H     0.09     1.33     7.57     -51.93      -0.39     0.94     16
  31       H     0.40     3.20     8.39     -40.82      -0.34     2.85     16
  32       H     0.10     0.52     8.14     -51.93      -0.42     0.10     16
  33       H     0.10     0.88     8.14     -51.93      -0.42     0.46     16
  34       H     0.09     1.09     7.93     -51.93      -0.41     0.68     16
  35       H     0.34     5.41     9.30      45.56       0.42     5.84     16
  36       H     0.16     0.80     8.06     -52.49      -0.42     0.38     16
  37       H     0.16    -0.05     8.06     -52.49      -0.42    -0.47     16
  38       H     0.15    -0.08     8.06     -52.49      -0.42    -0.50     16
  39       H     0.16     0.23     8.06     -52.49      -0.42    -0.19     16
  40       H     0.09     1.37     7.58     -51.93      -0.39     0.98     16
  41       H     0.06     0.71     7.45     -51.93      -0.39     0.33     16
  42       H     0.07     1.07     8.14     -51.93      -0.42     0.65     16
  43       H     0.06     0.80     8.14     -51.93      -0.42     0.38     16
  44       H     0.41     6.43     7.88     -40.82      -0.32     6.11     16
 Total:         -1.00   -42.31   399.17                 -9.11   -51.41