REAL300013458627.mol2 37                                                        
   1       C    -0.11    -4.29     7.90      71.98       0.57    -3.73     16
   2       C    -0.13    -6.17     0.69     -52.85      -0.04    -6.21     16
   3       C     0.48    31.10     6.72      71.24       0.48    31.58     16
   4       O    -0.74   -52.63    16.82      19.05       0.32   -52.31     16
   5       O    -0.73   -52.06    17.65      19.04       0.34   -51.73     16
   6       C    -0.09    -3.49     4.64      30.73       0.14    -3.35     16
   7       C    -0.12    -2.88     5.77      30.78       0.18    -2.70     16
   8       C     0.10     2.28     6.42      86.36       0.55     2.83     16
   9       N    -0.61   -18.95     2.41    -836.93      -2.02   -20.97     16
  10       C     0.71    21.24     7.98     179.05       1.43    22.67     16
  11       O    -0.59   -21.51    13.52      -3.97      -0.05   -21.56     16
  12       N    -0.66   -14.89     5.25    -312.14      -1.64   -16.53     16
  13       C     0.21     4.28     6.47      40.07       0.26     4.54     16
  14       C    -0.12    -1.90     8.50      22.02       0.19    -1.72     16
  15       C     0.00     0.02     9.83      21.91       0.22     0.24     16
  16       C    -0.10    -0.82    10.27      23.94       0.25    -0.57     16
  17       C     0.19     3.63     7.36      44.12       0.32     3.96     16
  18       C     0.16     3.62     7.34      44.51       0.33     3.94     16
  19       N    -0.44   -12.60    19.00     -42.74      -0.81   -13.41     16
  20       N    -0.32    -7.58    19.05     -43.27      -0.82    -8.41     16
  21       C     0.18     7.56     4.45      86.36       0.38     7.95     16
  22       H     0.03     1.33     8.14      -2.38      -0.02     1.31     16
  23       H     0.05     2.00     8.09      -2.39      -0.02     1.98     16
  24       H     0.08     2.63     5.97      -2.38      -0.01     2.62     16
  25       H     0.05     2.24     8.06      -2.39      -0.02     2.22     16
  26       H     0.05     1.87     8.14      -2.39      -0.02     1.85     16
  27       H     0.11     1.90     8.14      -2.39      -0.02     1.88     16
  28       H     0.08     1.80     6.34      -2.39      -0.02     1.79     16
  29       H     0.08     1.77     8.14      -2.39      -0.02     1.75     16
  30       H     0.11     1.59     5.57      -2.39      -0.01     1.58     16
  31       H     0.42     7.80     6.28     -92.70      -0.58     7.21     16
  32       H     0.15     2.95     6.32      -2.91      -0.02     2.93     16
  33       H     0.20    -0.24     8.06      -2.91      -0.02    -0.26     16
  34       H     0.21     0.11     8.06      -2.91      -0.02     0.09     16
  35       H     0.07     3.21     7.03      -2.39      -0.02     3.19     16
  36       H     0.05     2.42     7.95      -2.39      -0.02     2.40     16
 Total:         -1.00   -92.67   298.33                 -0.27   -92.94