REAL300019841816.mol2 43                                                        
   1       C    -0.16    -1.58     8.55      37.16       0.32    -1.26     16
   2       C     0.09     0.93     1.09     -90.83      -0.10     0.83     16
   3       C    -0.13    -0.94     8.81      37.16       0.33    -0.61     16
   4       C    -0.09    -0.61     4.67     -28.21      -0.13    -0.74     16
   5       C    -0.10    -0.82     5.26    -104.31      -0.55    -1.36     16
   6       C    -0.06    -0.30     9.72     -39.63      -0.39    -0.68     16
   7       C    -0.14    -0.78     9.95     -39.30      -0.39    -1.17     16
   8       C     0.19     1.77     6.30     -83.68      -0.53     1.24     16
   9       N    -0.65    -6.55     5.32     -10.63      -0.06    -6.61     16
  10       C     0.58     7.85     7.65     -12.23      -0.09     7.75     16
  11       O    -0.51    -7.98    13.74       5.33       0.07    -7.91     16
  12       C     0.03     0.51     6.75     -82.98      -0.56    -0.05     16
  13       C    -0.10    -1.45     9.61     -39.11      -0.38    -1.83     16
  14       C    -0.08    -1.32     9.83     -38.94      -0.38    -1.70     16
  15       C     0.04     0.83     5.90    -104.71      -0.62     0.21     16
  16       C     0.06     1.63     7.96    -155.67      -1.24     0.39     16
  17       N    -0.36    -9.76    12.20      32.22       0.39    -9.37     16
  18       N    -0.18    -5.31    13.44      60.35       0.81    -4.50     16
  19       N    -0.18    -5.35    13.44      60.35       0.81    -4.54     16
  20       N    -0.36    -9.90    12.25      32.22       0.39    -9.50     16
  21       C     0.11     1.94    10.87     -17.18      -0.19     1.75     16
  22       N    -0.46    -6.81     9.52      -9.51      -0.09    -6.90     16
  23       C    -0.12    -1.45     8.51     -39.16      -0.33    -1.78     16
  24       C     0.26     3.06     8.11     -38.92      -0.32     2.74     16
  25       O    -0.59   -10.38    17.84     -57.22      -1.02   -11.40     16
  26       O    -0.43    -6.30    13.61     -57.22      -0.78    -7.08     16
  27       H     0.06     0.65     8.14     -51.93      -0.42     0.22     16
  28       H     0.06     0.41     8.14     -51.93      -0.42    -0.01     16
  29       H     0.06     0.68     6.40     -51.93      -0.33     0.34     16
  30       H     0.06     0.45     8.14     -51.93      -0.42     0.03     16
  31       H     0.07     0.33     8.14     -51.93      -0.42    -0.09     16
  32       H     0.07     0.53     8.14     -51.93      -0.42     0.11     16
  33       H     0.09     0.36     8.12     -51.93      -0.42    -0.07     16
  34       H     0.09     0.57     8.14     -51.93      -0.42     0.14     16
  35       H     0.16     0.19     8.06     -52.49      -0.42    -0.23     16
  36       H     0.16     0.45     8.06     -52.49      -0.42     0.03     16
  37       H     0.43     3.48     8.15     -40.82      -0.33     3.15     16
  38       H     0.15     1.99     7.63     -52.49      -0.40     1.59     16
  39       H     0.15     2.59     7.96     -52.49      -0.42     2.17     16
  40       H     0.17     2.89     7.90     -52.49      -0.41     2.47     16
  41       H     0.18     2.66     6.19     -52.49      -0.32     2.34     16
  42       H     0.34     5.06     9.26      45.56       0.42     5.49     16
 Total:         -1.00   -35.79   367.48                 -5.07   -40.86