REAL300019736545.mol2 43                                                        
   1       C    -0.15    -1.79     9.91      37.16       0.37    -1.42     16
   2       C    -0.12    -1.72     5.82     -26.73      -0.16    -1.87     16
   3       C    -0.12    -2.04     4.74     -26.73      -0.13    -2.17     16
   4       C     0.26     5.67     2.51     -69.09      -0.17     5.49     16
   5       N    -0.71   -13.04     4.52     -54.93      -0.25   -13.29     16
   6       C     0.52     9.75     7.79     -10.98      -0.09     9.66     16
   7       O    -0.54   -12.58    15.64       5.56       0.09   -12.50     16
   8       C    -0.13    -1.81     5.68     -27.88      -0.16    -1.97     16
   9       C    -0.07    -0.90     4.62     -27.88      -0.13    -1.03     16
  10       C    -0.07    -0.73     5.16    -104.37      -0.54    -1.27     16
  11       C    -0.08    -0.55     9.69     -39.59      -0.38    -0.93     16
  12       C    -0.10    -0.43    10.04     -39.48      -0.40    -0.83     16
  13       C    -0.11    -0.54    10.04     -39.63      -0.40    -0.93     16
  14       C    -0.08    -0.69     6.31    -104.35      -0.66    -1.35     16
  15       C     0.26     2.99     9.97     -38.81      -0.39     2.60     16
  16       O    -0.53    -8.86    17.74     -56.57      -1.00    -9.86     16
  17       O    -0.47    -7.61    15.05     -56.57      -0.85    -8.46     16
  18       C     0.09     0.99     7.74      35.92       0.28     1.27     16
  19       C     0.05     1.32     7.16    -156.72      -1.12     0.20     16
  20       N    -0.38   -11.35    12.43      32.43       0.40   -10.95     16
  21       N    -0.20    -6.49    13.47      60.35       0.81    -5.67     16
  22       N    -0.20    -6.52    13.47      60.35       0.81    -5.71     16
  23       N    -0.38   -11.94    12.43      32.43       0.40   -11.54     16
  24       H     0.05     0.64     8.14     -51.93      -0.42     0.22     16
  25       H     0.05     0.54     8.14     -51.93      -0.42     0.12     16
  26       H     0.05     0.61     8.14     -51.93      -0.42     0.19     16
  27       H     0.06     0.89     8.14     -51.93      -0.42     0.47     16
  28       H     0.06     0.82     7.75     -51.93      -0.40     0.41     16
  29       H     0.08     1.42     8.14     -51.93      -0.42     1.00     16
  30       H     0.07     1.23     8.14     -51.93      -0.42     0.81     16
  31       H     0.09     2.14     7.58     -51.93      -0.39     1.75     16
  32       H     0.40     6.06     8.60     -40.82      -0.35     5.71     16
  33       H     0.09     1.09     8.14     -51.93      -0.42     0.67     16
  34       H     0.10     1.22     8.14     -51.93      -0.42     0.80     16
  35       H     0.10     1.56     7.29     -51.93      -0.38     1.18     16
  36       H     0.10     1.24     8.01     -51.93      -0.42     0.82     16
  37       H     0.16     0.82     8.06     -52.49      -0.42     0.40     16
  38       H     0.15     0.22     8.06     -52.49      -0.42    -0.20     16
  39       H     0.16     0.31     8.06     -52.49      -0.42    -0.11     16
  40       H     0.35     4.84     9.30      45.56       0.42     5.26     16
  41       H     0.07     0.59     8.14     -51.93      -0.42     0.16     16
  42       H     0.07     0.58     8.14     -51.93      -0.42     0.16     16
 Total:         -1.00   -42.03   366.05                 -5.15   -47.18