REAL300019804030.mol2 43                                                        
   1       C    -0.15    -3.20     9.46      37.16       0.35    -2.85     16
   2       C    -0.12    -2.53     4.52     -26.73      -0.12    -2.65     16
   3       C     0.30     6.48     0.42    -132.98      -0.06     6.43     16
   4       C    -0.12    -2.54     4.67     -26.73      -0.12    -2.66     16
   5       C    -0.15    -2.92     9.43      37.16       0.35    -2.57     16
   6       N    -0.71   -13.40     3.40     -48.69      -0.17   -13.56     16
   7       C     0.52     9.14     6.92     -10.98      -0.08     9.06     16
   8       O    -0.53   -10.92    11.71      -8.05      -0.09   -11.02     16
   9       C    -0.16    -2.09     5.39     -27.88      -0.15    -2.25     16
  10       C     0.13     1.72     3.12     -27.97      -0.09     1.63     16
  11       O    -0.36    -6.46    13.97     -63.28      -0.88    -7.35     16
  12       O    -0.59   -10.38    18.54     -56.58      -1.05   -11.42     16
  13       C     0.23     2.47    10.27     -38.81      -0.40     2.07     16
  14       C    -0.12    -0.80    10.09     -39.33      -0.40    -1.20     16
  15       C    -0.08    -0.28    10.04     -39.59      -0.40    -0.68     16
  16       C    -0.11    -0.34    10.04     -39.48      -0.40    -0.74     16
  17       C    -0.09    -0.49    10.04     -39.63      -0.40    -0.89     16
  18       C    -0.07    -0.68     5.56    -104.35      -0.58    -1.26     16
  19       C     0.05     1.41     6.11    -156.72      -0.96     0.45     16
  20       N    -0.38   -10.44    10.04      32.44       0.33   -10.12     16
  21       N    -0.20    -6.01    13.47      60.35       0.81    -5.20     16
  22       N    -0.20    -6.04    13.47      60.35       0.81    -5.23     16
  23       N    -0.37   -10.62     9.55      32.44       0.31   -10.31     16
  24       H     0.04     0.74     7.60     -51.93      -0.39     0.35     16
  25       H     0.09     2.09     5.50     -51.93      -0.29     1.80     16
  26       H     0.04     0.76     8.14     -51.93      -0.42     0.33     16
  27       H     0.07     1.46     8.14     -51.93      -0.42     1.04     16
  28       H     0.08     1.65     6.17     -51.93      -0.32     1.33     16
  29       H     0.08     1.59     6.32     -51.93      -0.33     1.26     16
  30       H     0.06     1.28     8.14     -51.93      -0.42     0.86     16
  31       H     0.04     0.63     8.14     -51.93      -0.42     0.21     16
  32       H     0.09     1.94     5.69     -51.93      -0.30     1.65     16
  33       H     0.04     0.78     7.29     -51.93      -0.38     0.40     16
  34       H     0.40     7.39     8.46     -40.82      -0.35     7.04     16
  35       H     0.10     0.93     8.14     -51.93      -0.42     0.51     16
  36       H     0.10     1.24     8.14     -51.93      -0.42     0.82     16
  37       H     0.10     1.39     7.93     -51.94      -0.41     0.98     16
  38       H     0.35     5.38     9.30      45.56       0.42     5.80     16
  39       H     0.16     0.85     8.06     -52.49      -0.42     0.43     16
  40       H     0.16     0.04     8.06     -52.48      -0.42    -0.39     16
  41       H     0.15     0.06     8.06     -52.49      -0.42    -0.36     16
  42       H     0.16     0.51     8.06     -52.48      -0.42     0.08     16
 Total:         -1.00   -38.22   345.59                 -4.73   -42.95