REAL300019736544.mol2 40                                                        
   1       C    -0.15    -1.69     9.91      37.16       0.37    -1.32     16
   2       C    -0.12    -1.61     5.82     -26.73      -0.16    -1.76     16
   3       C    -0.12    -2.04     4.74     -26.73      -0.13    -2.17     16
   4       C     0.26     5.84     2.51     -69.08      -0.17     5.67     16
   5       N    -0.71   -13.48     4.52     -54.93      -0.25   -13.73     16
   6       C     0.51    10.32     7.67     -10.99      -0.08    10.24     16
   7       O    -0.53   -13.29    15.10      -8.06      -0.12   -13.41     16
   8       C    -0.16    -2.26     5.39     -27.88      -0.15    -2.41     16
   9       C     0.13     1.95     3.12     -27.97      -0.09     1.86     16
  10       O    -0.35    -7.60    13.97     -63.28      -0.88    -8.48     16
  11       O    -0.58   -11.81    18.54     -56.58      -1.05   -12.86     16
  12       C     0.23     2.80    10.27     -38.81      -0.40     2.40     16
  13       C    -0.12    -0.95    10.09     -39.33      -0.40    -1.35     16
  14       C    -0.09    -0.36    10.04     -39.59      -0.40    -0.76     16
  15       C    -0.11    -0.41    10.04     -39.48      -0.40    -0.80     16
  16       C    -0.09    -0.55    10.04     -39.63      -0.40    -0.95     16
  17       C    -0.07    -0.77     5.56    -104.35      -0.58    -1.35     16
  18       C     0.05     1.35     7.16    -156.73      -1.12     0.22     16
  19       N    -0.38   -11.95    12.43      32.44       0.40   -11.55     16
  20       N    -0.20    -6.82    13.47      60.35       0.81    -6.01     16
  21       N    -0.20    -6.85    13.47      60.35       0.81    -6.03     16
  22       N    -0.38   -12.48    12.43      32.44       0.40   -12.08     16
  23       H     0.05     0.48     8.14     -51.93      -0.42     0.06     16
  24       H     0.05     0.62     8.14     -51.93      -0.42     0.19     16
  25       H     0.05     0.58     8.14     -51.93      -0.42     0.15     16
  26       H     0.06     0.72     7.75     -51.93      -0.40     0.32     16
  27       H     0.06     0.83     8.14     -51.93      -0.42     0.41     16
  28       H     0.07     1.23     8.14     -51.93      -0.42     0.81     16
  29       H     0.08     1.42     8.14     -51.93      -0.42     1.00     16
  30       H     0.09     2.15     7.58     -51.93      -0.39     1.76     16
  31       H     0.40     6.11     8.60     -40.82      -0.35     5.76     16
  32       H     0.10     0.88     8.14     -51.93      -0.42     0.46     16
  33       H     0.10     1.47     8.14     -51.93      -0.42     1.04     16
  34       H     0.10     1.54     7.93     -51.93      -0.41     1.13     16
  35       H     0.35     6.64     9.30      45.56       0.42     7.06     16
  36       H     0.16     1.06     8.06     -52.49      -0.42     0.64     16
  37       H     0.16     0.15     8.06     -52.49      -0.42    -0.27     16
  38       H     0.15     0.10     8.06     -52.48      -0.42    -0.32     16
  39       H     0.16     0.50     8.06     -52.48      -0.42     0.08     16
 Total:         -1.00   -46.16   344.81                 -4.98   -51.15