REAL300019721266.mol2 43                                                        
   1       C    -0.15    -2.01     8.97      37.16       0.33    -1.68     16
   2       C    -0.09    -1.26     2.86     -90.62      -0.26    -1.52     16
   3       C    -0.14    -1.63     9.19      37.16       0.34    -1.28     16
   4       C    -0.11    -1.97     4.19     -26.73      -0.11    -2.08     16
   5       C     0.26     5.79     2.39     -69.08      -0.16     5.62     16
   6       N    -0.71   -13.43     4.42     -54.93      -0.24   -13.68     16
   7       C     0.52    10.28     7.67     -10.98      -0.08    10.20     16
   8       O    -0.53   -13.21    15.10      -8.06      -0.12   -13.33     16
   9       C    -0.16    -2.26     5.39     -27.88      -0.15    -2.41     16
  10       C     0.13     1.94     3.12     -27.97      -0.09     1.86     16
  11       O    -0.35    -7.58    13.97     -63.28      -0.88    -8.46     16
  12       O    -0.58   -11.80    18.54     -56.58      -1.05   -12.85     16
  13       C     0.23     2.80    10.27     -38.81      -0.40     2.40     16
  14       C    -0.12    -0.95    10.09     -39.32      -0.40    -1.35     16
  15       C    -0.09    -0.36    10.04     -39.59      -0.40    -0.76     16
  16       C    -0.11    -0.41    10.04     -39.48      -0.40    -0.80     16
  17       C    -0.09    -0.55    10.04     -39.63      -0.40    -0.95     16
  18       C    -0.07    -0.77     5.56    -104.35      -0.58    -1.35     16
  19       C     0.05     1.34     7.16    -156.72      -1.12     0.22     16
  20       N    -0.38   -11.94    12.43      32.44       0.40   -11.54     16
  21       N    -0.20    -6.82    13.47      60.35       0.81    -6.01     16
  22       N    -0.20    -6.84    13.47      60.35       0.81    -6.03     16
  23       N    -0.38   -12.45    12.43      32.44       0.40   -12.04     16
  24       H     0.05     0.75     8.14     -51.93      -0.42     0.32     16
  25       H     0.05     0.56     8.14     -51.93      -0.42     0.13     16
  26       H     0.06     0.93     6.49     -51.93      -0.34     0.59     16
  27       H     0.07     0.85     7.60     -51.93      -0.39     0.46     16
  28       H     0.05     0.57     8.14     -51.93      -0.42     0.15     16
  29       H     0.05     0.49     8.14     -51.93      -0.42     0.07     16
  30       H     0.05     0.62     8.14     -51.93      -0.42     0.20     16
  31       H     0.08     1.44     8.14     -51.93      -0.42     1.02     16
  32       H     0.07     1.24     8.14     -51.93      -0.42     0.81     16
  33       H     0.09     2.21     5.81     -51.93      -0.30     1.91     16
  34       H     0.39     6.11     8.60     -40.82      -0.35     5.76     16
  35       H     0.10     0.88     8.14     -51.93      -0.42     0.46     16
  36       H     0.10     1.46     8.14     -51.93      -0.42     1.04     16
  37       H     0.10     1.54     7.93     -51.93      -0.41     1.12     16
  38       H     0.35     6.63     9.30      45.56       0.42     7.06     16
  39       H     0.16     1.06     8.06     -52.48      -0.42     0.64     16
  40       H     0.16     0.15     8.06     -52.48      -0.42    -0.27     16
  41       H     0.15     0.10     8.06     -52.49      -0.42    -0.32     16
  42       H     0.16     0.50     8.06     -52.49      -0.42     0.08     16
 Total:         -1.00   -45.98   362.06                 -5.15   -51.14