REAL300013458646.mol2 32                                                        
   1       O    -0.74   -53.74    17.80      19.03       0.34   -53.40     16
   2       C     0.51    33.48     7.88      71.24       0.56    34.04     16
   3       O    -0.74   -53.60    17.94      19.07       0.34   -53.26     16
   4       C    -0.26   -12.25     3.55     -52.91      -0.19   -12.44     16
   5       C    -0.07    -2.74    10.12      30.59       0.31    -2.43     16
   6       C    -0.17    -6.15     7.75     -10.79      -0.08    -6.23     16
   7       H     0.11     3.96     8.14      -2.39      -0.02     3.94     16
   8       C     0.20     6.16     4.18      44.99       0.19     6.35     16
   9       H     0.13     3.47     7.48      -2.39      -0.02     3.45     16
  10       N    -0.71   -18.81     5.30    -457.82      -2.43   -21.24     16
  11       C     0.72    17.71     8.33     179.05       1.49    19.20     16
  12       O    -0.58   -15.72    13.11      -3.97      -0.05   -15.77     16
  13       N    -0.66   -13.95     5.36    -312.14      -1.67   -15.63     16
  14       C     0.21     4.17     6.64      40.07       0.27     4.43     16
  15       C    -0.14    -2.03     8.58      22.02       0.19    -1.84     16
  16       C     0.02     0.10     9.83      21.91       0.22     0.32     16
  17       C    -0.12    -0.81    10.27      23.94       0.25    -0.57     16
  18       C     0.20     3.61     7.36      44.11       0.32     3.93     16
  19       C     0.15     3.45     7.33      44.51       0.33     3.77     16
  20       N    -0.46   -13.51    18.95     -42.74      -0.81   -14.32     16
  21       N    -0.30    -7.09    19.05     -43.28      -0.82    -7.91     16
  22       C    -0.08    -3.13     7.41      30.62       0.23    -2.90     16
  23       H     0.13     3.57     8.14      -2.38      -0.02     3.55     16
  24       H     0.10     4.02     8.14      -2.39      -0.02     4.00     16
  25       H     0.41    10.19     8.75     -92.70      -0.81     9.38     16
  26       H     0.42     8.16     8.77     -92.71      -0.81     7.35     16
  27       H     0.17     2.75     5.61      -2.91      -0.02     2.73     16
  28       H     0.20    -0.73     8.06      -2.91      -0.02    -0.76     16
  29       H     0.20    -0.10     8.06      -2.91      -0.02    -0.13     16
  30       H     0.07     2.79     8.12      -2.39      -0.02     2.77     16
  31       H     0.09     3.16     8.14      -2.39      -0.02     3.14     16
 Total:         -1.00   -93.62   284.14                 -2.84   -96.45