REAL300020232015.mol2 36                                                        
   1       O    -0.56   -12.85    11.19      -3.96      -0.04   -12.90     16
   2       C     0.71    13.94     8.07     179.06       1.44    15.38     16
   3       N    -0.66   -13.61     5.35    -317.19      -1.70   -15.31     16
   4       C     0.15     4.20     6.28      38.15       0.24     4.44     16
   5       C    -0.13    -3.57     8.66      22.39       0.19    -3.37     16
   6       C    -0.10    -2.78    10.04      22.25       0.22    -2.55     16
   7       C    -0.13    -4.16     9.70      22.29       0.22    -3.95     16
   8       C    -0.06    -2.14     5.11     -19.88      -0.10    -2.24     16
   9       C     0.03     1.34     5.97      29.10       0.17     1.51     16
  10       C     0.07     3.94     7.60     138.59       1.05     5.00     16
  11       N    -0.40   -23.96    12.43     -51.30      -0.64   -24.60     16
  12       N    -0.22   -14.25    13.47      37.02       0.50   -13.75     16
  13       N    -0.22   -14.18    13.47      37.02       0.50   -13.68     16
  14       N    -0.40   -23.64    12.43     -51.30      -0.64   -24.28     16
  15       C    -0.13    -4.17     9.62      22.39       0.22    -3.96     16
  16       N    -0.65   -10.29     5.36    -312.16      -1.67   -11.96     16
  17       C     0.21     3.21     6.63      40.07       0.27     3.47     16
  18       C    -0.14    -1.36     8.57      22.02       0.19    -1.17     16
  19       C     0.02     0.03     9.83      21.91       0.22     0.25     16
  20       C    -0.11    -0.49    10.27      23.94       0.25    -0.25     16
  21       C     0.20     3.06     7.36      44.12       0.32     3.38     16
  22       C     0.15     2.93     7.33      44.51       0.33     3.26     16
  23       N    -0.46   -12.04    18.96     -42.74      -0.81   -12.85     16
  24       N    -0.31    -6.45    19.05     -43.27      -0.82    -7.28     16
  25       H     0.42     6.63     8.84     -92.71      -0.82     5.81     16
  26       H     0.14     3.61     6.40      -2.91      -0.02     3.59     16
  27       H     0.15     3.24     8.06      -2.91      -0.02     3.22     16
  28       H     0.13     3.94     8.06      -2.91      -0.02     3.92     16
  29       H     0.10     3.33     8.09      -2.38      -0.02     3.31     16
  30       H     0.10     3.38     8.08      -2.39      -0.02     3.36     16
  31       H     0.13     3.86     8.06      -2.91      -0.02     3.83     16
  32       H     0.42     5.66     8.79     -92.70      -0.82     4.84     16
  33       H     0.17     2.00     5.64      -2.91      -0.02     1.98     16
  34       H     0.20    -1.30     8.06      -2.91      -0.02    -1.32     16
  35       H     0.20    -0.54     8.06      -2.91      -0.02    -0.56     16
 Total:         -1.00   -83.49   318.87                 -1.93   -85.42