REAL300020232017.mol2 33                                                        
   1       O    -0.59   -26.94    13.32      -3.98      -0.05   -26.99     16
   2       C     0.72    27.02     8.05     179.06       1.44    28.46     16
   3       N    -0.65   -19.67     5.30    -312.14      -1.65   -21.33     16
   4       C     0.22     6.02     6.64      40.06       0.27     6.29     16
   5       C    -0.15    -3.60     8.58      22.02       0.19    -3.41     16
   6       C     0.02     0.22     9.83      21.91       0.22     0.44     16
   7       C    -0.12    -1.50    10.27      23.94       0.25    -1.26     16
   8       C     0.20     4.68     7.36      44.11       0.32     5.01     16
   9       C     0.15     4.32     7.33      44.50       0.33     4.65     16
  10       N    -0.46   -15.64    18.95     -42.74      -0.81   -16.45     16
  11       N    -0.29    -8.00    19.05     -43.28      -0.82    -8.83     16
  12       N    -0.61   -21.11     3.05    -810.06      -2.47   -23.58     16
  13       C     0.09     2.00     6.53      86.86       0.57     2.56     16
  14       C    -0.11    -1.90     7.08      31.99       0.23    -1.67     16
  15       C    -0.11    -3.27     6.46      31.78       0.21    -3.06     16
  16       C     0.26    10.38     3.40      44.59       0.15    10.53     16
  17       C     0.07     3.73     6.29     138.58       0.87     4.60     16
  18       N    -0.39   -24.07    12.43     -51.29      -0.64   -24.70     16
  19       N    -0.23   -15.10    13.47      37.02       0.50   -14.60     16
  20       N    -0.22   -14.76    13.47      37.02       0.50   -14.26     16
  21       N    -0.40   -24.97    12.43     -51.29      -0.64   -25.60     16
  22       H     0.42    10.90     7.31     -92.71      -0.68    10.22     16
  23       H     0.16     4.33     5.60      -2.91      -0.02     4.32     16
  24       H     0.20     0.83     8.06      -2.91      -0.02     0.81     16
  25       H     0.21     0.93     8.06      -2.91      -0.02     0.91     16
  26       H     0.06     1.61     8.14      -2.39      -0.02     1.59     16
  27       H     0.11     1.72     7.39      -2.39      -0.02     1.71     16
  28       H     0.11     1.49     8.14      -2.39      -0.02     1.47     16
  29       H     0.11     1.39     8.14      -2.39      -0.02     1.37     16
  30       H     0.05     1.90     7.85      -2.39      -0.02     1.88     16
  31       H     0.11     2.59     8.14      -2.39      -0.02     2.58     16
  32       H     0.09     3.40     8.14      -2.38      -0.02     3.38     16
 Total:         -1.00   -91.04   284.28                 -1.94   -92.98