REAL300019861490.mol2 43                                                        
   1       C    -0.15    -1.92     8.18      37.16       0.30    -1.61     16
   2       C    -0.11    -1.40     3.12     -90.62      -0.28    -1.68     16
   3       C    -0.14    -1.39     9.19      37.16       0.34    -1.05     16
   4       C     0.11     1.73     4.70      -4.04      -0.02     1.71     16
   5       N    -0.60   -11.64     2.28    -175.06      -0.40   -12.04     16
   6       C     0.23     5.19     5.10      -5.19      -0.03     5.17     16
   7       C     0.04     1.03     7.94    -156.73      -1.24    -0.22     16
   8       N    -0.37   -11.72    12.43      32.44       0.40   -11.32     16
   9       N    -0.20    -6.70    13.47      60.35       0.81    -5.89     16
  10       N    -0.20    -6.54    13.47      60.35       0.81    -5.73     16
  11       N    -0.39   -11.64    12.43      32.44       0.40   -11.23     16
  12       C     0.52    10.41     7.55     -10.98      -0.08    10.33     16
  13       O    -0.51   -12.80    15.00      -8.79      -0.13   -12.94     16
  14       C    -0.15    -2.28     3.95     -27.88      -0.11    -2.39     16
  15       C     0.12     1.91     3.12     -27.98      -0.09     1.82     16
  16       O    -0.35    -6.82    13.93     -63.50      -0.88    -7.71     16
  17       O    -0.60   -10.80    18.54     -56.57      -1.05   -11.85     16
  18       C     0.23     2.64    10.28     -38.81      -0.40     2.25     16
  19       C    -0.12    -0.87    10.09     -39.33      -0.40    -1.27     16
  20       C    -0.08    -0.33    10.04     -39.59      -0.40    -0.73     16
  21       C    -0.11    -0.43    10.04     -39.48      -0.40    -0.83     16
  22       C    -0.09    -0.61    10.04     -39.63      -0.40    -1.01     16
  23       C    -0.07    -0.75     5.57    -104.36      -0.58    -1.33     16
  24       H     0.05     0.57     8.14     -51.93      -0.42     0.15     16
  25       H     0.06     0.90     5.89     -51.93      -0.31     0.59     16
  26       H     0.06     0.76     8.14     -51.93      -0.42     0.33     16
  27       H     0.07     0.88     7.30     -51.93      -0.38     0.50     16
  28       H     0.05     0.46     8.14     -51.93      -0.42     0.03     16
  29       H     0.05     0.49     8.14     -51.93      -0.42     0.07     16
  30       H     0.06     0.57     8.14     -51.93      -0.42     0.15     16
  31       H     0.09     1.46     8.07     -51.93      -0.42     1.04     16
  32       H     0.07     0.90     6.44     -51.93      -0.33     0.57     16
  33       H     0.08     1.69     5.98     -51.93      -0.31     1.37     16
  34       H     0.09     2.05     7.42     -51.93      -0.39     1.67     16
  35       H     0.09     1.13     7.40     -51.93      -0.38     0.74     16
  36       H     0.10     1.27     7.26     -51.93      -0.38     0.89     16
  37       H     0.11     1.78     7.95     -51.93      -0.41     1.37     16
  38       H     0.35     5.52     9.30      45.56       0.42     5.95     16
  39       H     0.16     0.92     8.06     -52.49      -0.42     0.49     16
  40       H     0.16     0.11     8.06     -52.48      -0.42    -0.32     16
  41       H     0.15     0.18     8.06     -52.48      -0.42    -0.25     16
  42       H     0.16     0.78     8.06     -52.49      -0.42     0.36     16
 Total:         -1.00   -43.32   356.42                 -5.13   -48.45