REAL300013458641.mol2 37                                                        
   1       O    -0.75   -55.27    18.00      19.07       0.34   -54.93     16
   2       C     0.47    31.03     6.99      71.24       0.50    31.53     16
   3       O    -0.73   -51.99    17.29      19.04       0.33   -51.66     16
   4       C    -0.14    -6.41     2.58     -11.54      -0.03    -6.44     16
   5       H     0.07     3.17     8.14      -2.39      -0.02     3.15     16
   6       C    -0.10    -3.89     5.19      30.59       0.16    -3.74     16
   7       C    -0.10    -2.88     5.92      30.59       0.18    -2.70     16
   8       C    -0.12    -3.20     5.49      30.59       0.17    -3.04     16
   9       C     0.18     5.09     2.45      44.99       0.11     5.20     16
  10       H     0.09     2.64     7.58      -2.39      -0.02     2.62     16
  11       N    -0.72   -16.53     5.08    -457.82      -2.33   -18.85     16
  12       C     0.71    15.93     8.34     179.05       1.49    17.42     16
  13       O    -0.58   -15.36    13.40      -3.97      -0.05   -15.42     16
  14       N    -0.66   -12.02     5.34    -312.14      -1.67   -13.68     16
  15       C     0.20     3.46     6.51      40.07       0.26     3.72     16
  16       C    -0.11    -1.33     8.55      22.02       0.19    -1.14     16
  17       C     0.00     0.01     9.83      21.91       0.22     0.22     16
  18       C    -0.10    -0.61    10.27      23.94       0.25    -0.36     16
  19       C     0.19     3.31     7.36      44.12       0.32     3.63     16
  20       C     0.16     3.33     7.34      44.51       0.33     3.65     16
  21       N    -0.44   -12.20    19.00     -42.73      -0.81   -13.01     16
  22       N    -0.33    -7.59    19.05     -43.27      -0.82    -8.42     16
  23       C    -0.09    -3.45     4.39      30.60       0.13    -3.31     16
  24       H     0.05     2.13     8.14      -2.39      -0.02     2.11     16
  25       H     0.05     2.00     8.14      -2.39      -0.02     1.98     16
  26       H     0.09     2.08     8.14      -2.38      -0.02     2.06     16
  27       H     0.07     1.96     8.14      -2.39      -0.02     1.94     16
  28       H     0.08     1.91     8.14      -2.38      -0.02     1.89     16
  29       H     0.07     1.75     8.14      -2.39      -0.02     1.73     16
  30       H     0.41     7.87     8.62     -92.71      -0.80     7.07     16
  31       H     0.42     6.49     8.84     -92.71      -0.82     5.67     16
  32       H     0.16     2.28     6.03      -2.91      -0.02     2.26     16
  33       H     0.20    -0.95     8.06      -2.91      -0.02    -0.98     16
  34       H     0.20    -0.23     8.06      -2.91      -0.02    -0.25     16
  35       H     0.06     2.58     7.87      -2.39      -0.02     2.56     16
  36       H     0.05     2.07     8.14      -2.39      -0.02     2.05     16
 Total:         -1.00   -92.85   308.57                 -2.61   -95.46