REAL300020232017.mol2 33                                                        
   1       O    -0.54   -12.17    13.32       5.29       0.07   -12.10     16
   2       C     0.72    13.59     8.05     -86.92      -0.70    12.89     16
   3       N    -0.66    -9.99     5.30     -12.63      -0.07   -10.06     16
   4       C     0.25     3.49     6.64     -81.29      -0.54     2.95     16
   5       C    -0.16    -2.03     8.58     -39.97      -0.34    -2.37     16
   6       C     0.00     0.00     9.83     -40.13      -0.39    -0.40     16
   7       C    -0.13    -1.15    10.27     -37.01      -0.38    -1.53     16
   8       C     0.20     2.51     7.36     -79.59      -0.59     1.93     16
   9       C     0.15     2.14     7.33     -79.31      -0.58     1.56     16
  10       N    -0.38    -6.27    18.95      35.14       0.67    -5.60     16
  11       N    -0.30    -4.38    19.05      34.97       0.67    -3.72     16
  12       N    -0.61   -10.74     3.05    -170.01      -0.52   -11.26     16
  13       C     0.09     1.22     6.53      -2.53      -0.02     1.20     16
  14       C    -0.13    -1.40     7.08     -24.58      -0.17    -1.57     16
  15       C    -0.12    -1.82     6.46     -24.90      -0.16    -1.98     16
  16       C     0.27     5.45     3.40     -68.11      -0.23     5.22     16
  17       C     0.05     1.35     6.29    -156.72      -0.99     0.37     16
  18       N    -0.38   -11.32    12.43      32.44       0.40   -10.92     16
  19       N    -0.20    -6.46    13.47      60.35       0.81    -5.65     16
  20       N    -0.20    -6.39    13.47      60.35       0.81    -5.57     16
  21       N    -0.38   -11.51    12.43      32.44       0.40   -11.11     16
  22       H     0.41     5.35     7.31     -40.82      -0.30     5.05     16
  23       H     0.17     2.45     5.60     -52.49      -0.29     2.16     16
  24       H     0.15     0.77     8.06     -52.49      -0.42     0.35     16
  25       H     0.16     0.90     8.06     -52.49      -0.42     0.47     16
  26       H     0.07     1.02     8.14     -51.93      -0.42     0.60     16
  27       H     0.07     0.67     7.39     -51.93      -0.38     0.28     16
  28       H     0.08     0.75     8.14     -51.93      -0.42     0.33     16
  29       H     0.08     0.71     8.14     -51.93      -0.42     0.29     16
  30       H     0.08     1.47     7.85     -51.93      -0.41     1.06     16
  31       H     0.08     1.13     8.14     -51.93      -0.42     0.71     16
  32       H     0.09     1.70     8.14     -51.92      -0.42     1.28     16
 Total:         -1.00   -38.96   284.28                 -1.91   -40.86