REAL300019841814.mol2 43                                                        
   1       C    -0.13    -1.00     8.81      37.16       0.33    -0.68     16
   2       C     0.09     0.97     1.09     -90.83      -0.10     0.87     16
   3       C    -0.16    -1.54     8.56      37.16       0.32    -1.22     16
   4       C    -0.09    -0.65     4.67     -28.21      -0.13    -0.78     16
   5       C    -0.10    -0.84     5.24    -104.31      -0.55    -1.39     16
   6       C    -0.06    -0.30     9.72     -39.63      -0.39    -0.68     16
   7       C    -0.14    -0.69     9.94     -39.31      -0.39    -1.08     16
   8       C     0.19     1.61     6.30     -83.65      -0.53     1.08     16
   9       N    -0.67    -5.03     5.34      -9.84      -0.05    -5.09     16
  10       C     0.51     6.07     7.68     -10.99      -0.08     5.99     16
  11       O    -0.50    -8.59    13.42       5.55       0.07    -8.51     16
  12       C    -0.13    -1.44     5.70     -27.89      -0.16    -1.60     16
  13       C    -0.10    -1.71     4.49     -26.73      -0.12    -1.83     16
  14       C     0.00     0.03     5.84     -27.88      -0.16    -0.13     16
  15       C     0.05     1.51     7.62    -156.72      -1.19     0.31     16
  16       N    -0.39   -12.16    12.43      32.44       0.40   -11.76     16
  17       N    -0.20    -6.60    13.47      60.35       0.81    -5.79     16
  18       N    -0.20    -6.61    13.47      60.35       0.81    -5.79     16
  19       N    -0.39   -12.18    12.43      32.44       0.40   -11.78     16
  20       C    -0.12    -1.50     8.51     -39.17      -0.33    -1.83     16
  21       C     0.26     3.19     8.11     -38.92      -0.32     2.87     16
  22       O    -0.58   -10.90    17.84     -57.22      -1.02   -11.92     16
  23       O    -0.43    -6.72    13.61     -57.22      -0.78    -7.50     16
  24       H     0.07     0.35     8.14     -51.93      -0.42    -0.07     16
  25       H     0.07     0.56     8.14     -51.93      -0.42     0.14     16
  26       H     0.06     0.50     8.14     -51.93      -0.42     0.07     16
  27       H     0.06     0.62     6.39     -51.93      -0.33     0.29     16
  28       H     0.06     0.64     8.14     -51.93      -0.42     0.22     16
  29       H     0.06     0.38     8.14     -51.93      -0.42    -0.04     16
  30       H     0.09     0.64     8.14     -51.93      -0.42     0.22     16
  31       H     0.09     0.36     8.12     -51.93      -0.42    -0.06     16
  32       H     0.16     0.17     8.06     -52.48      -0.42    -0.26     16
  33       H     0.15     0.22     8.06     -52.49      -0.42    -0.20     16
  34       H     0.42     1.29     8.82     -40.82      -0.36     0.93     16
  35       H     0.10     0.82     8.14     -51.93      -0.42     0.40     16
  36       H     0.10     0.82     8.14     -51.93      -0.42     0.39     16
  37       H     0.07     1.43     8.10     -51.94      -0.42     1.01     16
  38       H     0.07     1.44     8.10     -51.93      -0.42     1.02     16
  39       H     0.07     1.20     8.14     -51.93      -0.42     0.78     16
  40       H     0.07     1.20     8.14     -51.93      -0.42     0.78     16
  41       H     0.18     2.86     6.19     -52.49      -0.33     2.53     16
  42       H     0.34     5.50     9.26      45.56       0.42     5.92     16
 Total:         -1.00   -44.09   356.83                 -4.71   -48.80