REAL300020232020.mol2 39                                                        
   1       O    -0.46    -9.55     5.44       5.29       0.03    -9.52     16
   2       C     0.68    12.03     7.54     -86.92      -0.66    11.37     16
   3       N    -0.67   -10.18     5.25     -12.63      -0.07   -10.25     16
   4       C     0.24     3.71     6.59     -81.29      -0.54     3.17     16
   5       C    -0.13    -1.88     8.60     -39.97      -0.34    -2.22     16
   6       C    -0.01    -0.06     9.83     -40.14      -0.39    -0.46     16
   7       C    -0.13    -1.41    10.27     -37.00      -0.38    -1.79     16
   8       C     0.19     2.90     7.36     -79.58      -0.59     2.32     16
   9       C     0.16     2.55     7.34     -79.31      -0.58     1.97     16
  10       N    -0.38    -6.91    19.00      35.14       0.67    -6.25     16
  11       N    -0.32    -5.36    19.05      34.97       0.67    -4.69     16
  12       N    -0.62    -9.64     2.97    -170.90      -0.51   -10.15     16
  13       C     0.11     1.27     6.39      -3.71      -0.02     1.25     16
  14       C    -0.13    -1.19     6.08     -26.57      -0.16    -1.35     16
  15       C    -0.12    -1.16     5.89     -26.65      -0.16    -1.31     16
  16       C    -0.13    -1.55     5.28     -26.61      -0.14    -1.69     16
  17       C     0.18     2.95     2.90     -67.60      -0.20     2.76     16
  18       C    -0.01    -0.29     4.90     -27.88      -0.14    -0.42     16
  19       C     0.06     1.73     6.90    -156.72      -1.08     0.65     16
  20       N    -0.34    -9.88     8.85      32.44       0.29    -9.60     16
  21       N    -0.22    -7.13    13.47      60.35       0.81    -6.32     16
  22       N    -0.21    -6.94    13.47      60.35       0.81    -6.13     16
  23       N    -0.40   -12.43    12.43      32.44       0.40   -12.02     16
  24       H     0.40     5.24     6.31     -40.82      -0.26     4.98     16
  25       H     0.17     2.60     5.66     -52.48      -0.30     2.31     16
  26       H     0.15     1.10     8.06     -52.49      -0.42     0.68     16
  27       H     0.16     1.25     8.06     -52.49      -0.42     0.83     16
  28       H     0.07     0.80     8.14     -51.93      -0.42     0.37     16
  29       H     0.07     0.70     5.65     -51.93      -0.29     0.40     16
  30       H     0.07     0.52     8.14     -51.93      -0.42     0.10     16
  31       H     0.07     0.61     8.14     -51.93      -0.42     0.18     16
  32       H     0.06     0.53     8.14     -51.93      -0.42     0.10     16
  33       H     0.06     0.65     8.14     -51.93      -0.42     0.23     16
  34       H     0.07     0.79     8.14     -51.93      -0.42     0.36     16
  35       H     0.08     0.88     8.14     -51.93      -0.42     0.46     16
  36       H     0.07     1.31     8.00     -51.93      -0.42     0.90     16
  37       H     0.06     1.10     8.01     -51.93      -0.42     0.68     16
  38       H     0.11     2.25     5.48     -54.28      -0.30     1.96     16
 Total:         -1.00   -38.10   308.01                 -3.41   -41.51