REAL300020025168.mol2 36                                                        
   1       O    -0.50    -6.89    13.77       5.33       0.07    -6.81     16
   2       C     0.55     5.32     7.62     -12.23      -0.09     5.22     16
   3       N    -0.65    -5.74     5.28     -10.63      -0.06    -5.80     16
   4       C     0.09     1.14     6.30     -83.66      -0.53     0.61     16
   5       C    -0.09    -1.44     8.69     -39.41      -0.34    -1.79     16
   6       C    -0.14    -2.89     9.39     -39.43      -0.37    -3.26     16
   7       C     0.20     4.41     6.69     -83.55      -0.56     3.85     16
   8       N    -0.46   -11.94     3.80     -13.97      -0.05   -12.00     16
   9       N    -0.10    -2.68    12.85      60.35       0.78    -1.90     16
  10       N    -0.04    -1.21    13.66      60.35       0.82    -0.38     16
  11       N    -0.51   -15.40    12.93      27.78       0.36   -15.04     16
  12       C     0.56    16.56     9.05     -86.41      -0.78    15.78     16
  13       O    -0.61   -18.76    15.32       5.09       0.08   -18.68     16
  14       C    -0.13    -2.28     9.66     -39.43      -0.38    -2.66     16
  15       C    -0.11    -1.49     9.96     -39.41      -0.39    -1.88     16
  16       C    -0.11    -0.66     5.88    -104.89      -0.62    -1.28     16
  17       C    -0.05    -0.17     9.53     -39.20      -0.37    -0.54     16
  18       C    -0.12    -0.52    10.08     -39.38      -0.40    -0.92     16
  19       C     0.27     2.07    10.27     -38.81      -0.40     1.67     16
  20       O    -0.56    -7.27    18.54     -56.57      -1.05    -8.31     16
  21       O    -0.44    -5.73    15.05     -56.57      -0.85    -6.58     16
  22       C     0.09     0.74     7.74      35.93       0.28     1.02     16
  23       C    -0.08    -0.56     6.30    -104.37      -0.66    -1.21     16
  24       C    -0.04    -0.24     9.58     -39.23      -0.38    -0.61     16
  25       H     0.41     1.78     6.85     -40.82      -0.28     1.50     16
  26       H     0.14     2.26     6.22     -52.49      -0.33     1.93     16
  27       H     0.16     3.74     5.52     -52.48      -0.29     3.45     16
  28       H     0.14     2.29     7.70     -52.49      -0.40     1.88     16
  29       H     0.13     1.15     8.06     -52.49      -0.42     0.72     16
  30       H     0.17    -0.03     6.40     -52.49      -0.34    -0.37     16
  31       H     0.17     0.39     8.06     -52.48      -0.42    -0.03     16
  32       H     0.35     3.54     9.30      45.56       0.42     3.96     16
  33       H     0.08     0.55     8.14     -51.93      -0.42     0.13     16
  34       H     0.08     0.55     8.14     -51.93      -0.42     0.12     16
  35       H     0.18     1.02     7.64     -52.49      -0.40     0.62     16
 Total:         -1.00   -38.41   319.97                 -4.37   -42.78