REAL300013458617.mol2 39                                                        
   1       O    -0.68   -23.34    15.32     -20.23      -0.31   -23.65     16
   2       C     0.50    16.23     7.73      36.01       0.28    16.51     16
   3       O    -0.71   -25.70    18.00     -20.24      -0.36   -26.07     16
   4       C    -0.01    -0.20     5.53      -4.98      -0.03    -0.23     16
   5       N    -0.51   -11.14     4.37    -236.12      -1.03   -12.18     16
   6       C     0.06     1.21     5.11      -3.83      -0.02     1.19     16
   7       C    -0.12    -1.73     5.57     -26.65      -0.15    -1.88     16
   8       C     0.16     2.09     2.52     -67.81      -0.17     1.92     16
   9       N    -0.72    -7.29     5.09     -58.56      -0.30    -7.59     16
  10       C     0.71     7.42     8.36     -86.92      -0.73     6.70     16
  11       O    -0.56    -7.34    13.35       5.29       0.07    -7.27     16
  12       N    -0.67    -5.54     5.34     -12.63      -0.07    -5.61     16
  13       C     0.23     1.91     6.52     -81.29      -0.53     1.38     16
  14       C    -0.13    -0.86     8.56     -39.97      -0.34    -1.21     16
  15       C    -0.02    -0.08     9.83     -40.14      -0.39    -0.47     16
  16       C    -0.11    -0.51    10.27     -37.01      -0.38    -0.89     16
  17       C     0.19     1.66     7.36     -79.58      -0.59     1.07     16
  18       C     0.15     1.49     7.34     -79.31      -0.58     0.91     16
  19       N    -0.37    -4.59    19.00      35.14       0.67    -3.92     16
  20       N    -0.30    -3.42    19.05      34.97       0.67    -2.76     16
  21       C    -0.12    -1.77     5.67     -26.65      -0.15    -1.92     16
  22       C     0.05     0.93     5.46      -3.84      -0.02     0.90     16
  23       H     0.07     1.67     7.96     -51.93      -0.41     1.26     16
  24       H     0.03     0.68     8.11     -51.93      -0.42     0.25     16
  25       H     0.02     0.31     8.14     -51.93      -0.42    -0.11     16
  26       H     0.11     2.63     5.89     -51.93      -0.31     2.32     16
  27       H     0.07     0.85     8.14     -51.93      -0.42     0.43     16
  28       H     0.08     1.22     8.14     -51.93      -0.42     0.80     16
  29       H     0.09     1.23     7.58     -51.93      -0.39     0.83     16
  30       H     0.40     3.09     8.63     -40.82      -0.35     2.74     16
  31       H     0.41     2.66     8.84     -40.82      -0.36     2.30     16
  32       H     0.17     1.27     5.98     -52.49      -0.31     0.96     16
  33       H     0.15     0.08     8.06     -52.49      -0.42    -0.34     16
  34       H     0.16     0.30     8.06     -52.49      -0.42    -0.13     16
  35       H     0.07     1.09     8.14     -51.93      -0.42     0.66     16
  36       H     0.07     0.93     8.14     -51.93      -0.42     0.50     16
  37       H     0.03     0.42     8.14     -51.93      -0.42     0.00     16
  38       H     0.07     1.19     8.00     -51.93      -0.42     0.78     16
 Total:         -1.00   -40.96   321.30                 -5.99   -46.94