REAL300013458652.mol2 32                                                        
   1       O    -0.74   -55.07    18.00      19.04       0.34   -54.73     16
   2       C     0.51    34.20     7.76      71.24       0.55    34.75     16
   3       O    -0.74   -54.13    18.00      19.04       0.34   -53.79     16
   4       C    -0.25   -12.11     3.50     -52.93      -0.19   -12.29     16
   5       C    -0.08    -2.86    10.04      30.59       0.31    -2.55     16
   6       C    -0.17    -5.93     7.77     -10.79      -0.08    -6.02     16
   7       H     0.12     4.17     8.14      -2.38      -0.02     4.15     16
   8       C     0.21     6.49     4.18      44.99       0.19     6.68     16
   9       H     0.12     3.78     7.48      -2.39      -0.02     3.76     16
  10       N    -0.71   -15.74     5.30    -457.82      -2.43   -18.16     16
  11       C     0.71    15.89     8.38     179.05       1.50    17.38     16
  12       O    -0.59   -16.08    13.35      -3.97      -0.05   -16.14     16
  13       N    -0.66   -11.49     5.34    -312.14      -1.67   -13.16     16
  14       C     0.20     3.40     6.51      40.06       0.26     3.66     16
  15       C    -0.11    -1.30     8.54      22.02       0.19    -1.11     16
  16       C     0.00     0.00     9.83      21.91       0.22     0.22     16
  17       C    -0.10    -0.63    10.27      23.94       0.25    -0.39     16
  18       C     0.19     3.35     7.36      44.12       0.32     3.67     16
  19       C     0.16     3.34     7.34      44.50       0.33     3.66     16
  20       N    -0.44   -12.16    19.00     -42.74      -0.81   -12.97     16
  21       N    -0.33    -7.75    19.04     -43.28      -0.82    -8.57     16
  22       C    -0.09    -3.54     7.56      30.60       0.23    -3.31     16
  23       H     0.10     3.84     8.14      -2.39      -0.02     3.82     16
  24       H     0.12     3.25     7.89      -2.39      -0.02     3.24     16
  25       H     0.41     7.04     8.38     -92.71      -0.78     6.27     16
  26       H     0.42     5.88     8.84     -92.71      -0.82     5.06     16
  27       H     0.17     2.23     6.04      -2.91      -0.02     2.21     16
  28       H     0.20    -0.93     8.06      -2.91      -0.02    -0.96     16
  29       H     0.20    -0.16     8.06      -2.91      -0.02    -0.18     16
  30       H     0.07     2.92     8.14      -2.39      -0.02     2.90     16
  31       H     0.08     2.99     8.11      -2.39      -0.02     2.97     16
 Total:         -1.00   -97.11   284.37                 -2.80   -99.91