REAL300019838209.mol2 41                                                        
   1       O    -0.52   -13.06    15.10      -8.06      -0.12   -13.19     16
   2       C     0.52    10.33     7.67     -10.99      -0.08    10.25     16
   3       C    -0.16    -2.23     5.39     -27.88      -0.15    -2.38     16
   4       C     0.13     1.92     3.12     -27.97      -0.09     1.84     16
   5       O    -0.35    -7.52    13.97     -63.28      -0.88    -8.41     16
   6       O    -0.58   -11.67    18.54     -56.58      -1.05   -12.72     16
   7       C     0.23     2.77    10.27     -38.81      -0.40     2.37     16
   8       C    -0.12    -0.93    10.09     -39.33      -0.40    -1.33     16
   9       C    -0.09    -0.35    10.04     -39.59      -0.40    -0.75     16
  10       C    -0.11    -0.39    10.04     -39.48      -0.40    -0.79     16
  11       C    -0.09    -0.54    10.04     -39.63      -0.40    -0.94     16
  12       C    -0.07    -0.76     5.56    -104.35      -0.58    -1.34     16
  13       N    -0.71   -13.72     5.01     -56.07      -0.28   -14.00     16
  14       C     0.30     6.83     2.71     -70.23      -0.19     6.64     16
  15       C     0.05     1.39     7.16    -155.99      -1.12     0.28     16
  16       N    -0.37   -12.21    12.45      32.58       0.41   -11.80     16
  17       N    -0.20    -6.73    13.46      60.35       0.81    -5.91     16
  18       N    -0.20    -6.69    13.46      60.35       0.81    -5.87     16
  19       N    -0.38   -11.61    12.45      32.58       0.41   -11.20     16
  20       C    -0.07    -1.33     4.94    -104.63      -0.52    -1.85     16
  21       C    -0.10    -1.70     9.05     -39.58      -0.36    -2.05     16
  22       C    -0.12    -1.79    10.05     -39.58      -0.40    -2.19     16
  23       C    -0.13    -1.75    10.05     -39.58      -0.40    -2.15     16
  24       C    -0.12    -1.80    10.05     -39.58      -0.40    -2.19     16
  25       C    -0.10    -1.80     9.67     -39.59      -0.38    -2.18     16
  26       H     0.10     0.89     8.14     -51.93      -0.42     0.46     16
  27       H     0.10     1.45     8.14     -51.93      -0.42     1.03     16
  28       H     0.10     1.52     7.93     -51.93      -0.41     1.11     16
  29       H     0.35     6.56     9.30      45.56       0.42     6.98     16
  30       H     0.16     1.04     8.06     -52.49      -0.42     0.62     16
  31       H     0.16     0.13     8.06     -52.48      -0.42    -0.29     16
  32       H     0.15     0.09     8.06     -52.49      -0.42    -0.34     16
  33       H     0.16     0.49     8.06     -52.49      -0.42     0.07     16
  34       H     0.40     6.28     6.89     -40.82      -0.28     6.00     16
  35       H     0.10     2.37     7.44     -51.93      -0.39     1.99     16
  36       H     0.12     2.07     6.94     -52.48      -0.36     1.71     16
  37       H     0.12     1.41     8.06     -52.48      -0.42     0.98     16
  38       H     0.12     1.25     8.06     -52.48      -0.42     0.83     16
  39       H     0.12     1.41     8.06     -52.48      -0.42     0.99     16
  40       H     0.12     2.07     8.04     -52.48      -0.42     1.64     16
 Total:         -1.00   -46.29   359.55                 -6.38   -52.67