REAL300020232016.mol2 36                                                        
   1       O    -0.56    -7.79    12.78       5.29       0.07    -7.72     16
   2       C     0.71     8.79     8.10     -86.93      -0.70     8.08     16
   3       N    -0.67    -7.16     5.28     -12.63      -0.07    -7.23     16
   4       C     0.24     2.50     6.67     -81.29      -0.54     1.95     16
   5       C    -0.17    -1.43     8.61     -39.97      -0.34    -1.77     16
   6       C     0.00     0.01     9.83     -40.14      -0.39    -0.39     16
   7       C    -0.13    -0.76    10.27     -37.01      -0.38    -1.14     16
   8       C     0.20     1.95     7.36     -79.59      -0.59     1.37     16
   9       C     0.14     1.62     7.33     -79.31      -0.58     1.04     16
  10       N    -0.38    -5.28    18.92      35.14       0.66    -4.62     16
  11       N    -0.29    -3.43    19.04      34.97       0.67    -2.77     16
  12       N    -0.61    -7.43     2.97    -178.52      -0.53    -7.96     16
  13       C     0.11     1.22     6.43      -3.71      -0.02     1.20     16
  14       C    -0.12    -1.88     5.34     -26.61      -0.14    -2.02     16
  15       C     0.03     0.60     2.62     -91.73      -0.24     0.36     16
  16       C     0.06     1.51     6.87    -156.72      -1.08     0.43     16
  17       N    -0.39   -11.03    12.43      32.44       0.40   -10.63     16
  18       N    -0.20    -6.20    13.47      60.35       0.81    -5.39     16
  19       N    -0.20    -6.23    13.47      60.35       0.81    -5.42     16
  20       N    -0.39   -11.44    12.43      32.44       0.40   -11.04     16
  21       C    -0.12    -1.95     5.34     -26.62      -0.14    -2.09     16
  22       C     0.13     1.63     6.42      -3.72      -0.02     1.61     16
  23       H     0.41     4.09     6.17     -40.82      -0.25     3.84     16
  24       H     0.18     1.72     5.41     -52.49      -0.28     1.44     16
  25       H     0.15     0.27     8.06     -52.49      -0.42    -0.15     16
  26       H     0.16     0.46     8.06     -52.49      -0.42     0.04     16
  27       H     0.07     0.66     5.56     -51.93      -0.29     0.37     16
  28       H     0.08     0.79     8.14     -51.93      -0.42     0.37     16
  29       H     0.08     1.31     8.14     -51.93      -0.42     0.88     16
  30       H     0.07     1.21     8.14     -51.93      -0.42     0.79     16
  31       H     0.08     1.35     8.14     -51.93      -0.42     0.93     16
  32       H     0.08     1.26     8.14     -51.93      -0.42     0.84     16
  33       H     0.07     1.34     8.14     -51.93      -0.42     0.92     16
  34       H     0.10     1.19     7.04     -51.93      -0.37     0.83     16
  35       H     0.07     0.79     8.14     -51.93      -0.42     0.37     16
 Total:         -1.00   -35.73   299.28                 -2.43   -38.17