REAL300020044768.mol2 36                                                        
   1       O    -0.49    -7.71    14.03       5.34       0.07    -7.63     16
   2       C     0.55     6.07     7.51     -12.23      -0.09     5.97     16
   3       N    -0.66    -6.43     5.28     -10.67      -0.06    -6.49     16
   4       C     0.15     2.18     6.27     -83.75      -0.53     1.65     16
   5       C    -0.18    -2.28     9.96     -39.35      -0.39    -2.67     16
   6       C    -0.08    -1.15    10.03     -39.64      -0.40    -1.55     16
   7       C    -0.16    -3.30     9.40     -39.36      -0.37    -3.67     16
   8       C     0.22     5.05     6.69     -83.63      -0.56     4.49     16
   9       N    -0.46   -12.28     3.80     -14.03      -0.05   -12.33     16
  10       N    -0.10    -2.64    12.85      60.35       0.78    -1.87     16
  11       N    -0.04    -1.27    13.66      60.35       0.82    -0.44     16
  12       N    -0.51   -15.68    12.93      27.78       0.36   -15.32     16
  13       C     0.56    16.78     9.05     -86.43      -0.78    15.99     16
  14       O    -0.61   -18.79    15.32       5.09       0.08   -18.71     16
  15       C    -0.15    -2.79     8.27     -39.20      -0.32    -3.12     16
  16       C    -0.11    -0.78     5.88    -104.89      -0.62    -1.39     16
  17       C    -0.05    -0.21     9.53     -39.19      -0.37    -0.58     16
  18       C    -0.13    -0.61    10.08     -39.37      -0.40    -1.00     16
  19       C     0.27     2.27    10.27     -38.82      -0.40     1.87     16
  20       O    -0.57    -7.62    18.54     -56.57      -1.05    -8.66     16
  21       O    -0.43    -6.00    15.05     -56.57      -0.85    -6.85     16
  22       C     0.09     0.80     7.74      35.93       0.28     1.08     16
  23       C    -0.08    -0.62     6.30    -104.38      -0.66    -1.28     16
  24       C    -0.04    -0.27     9.58     -39.23      -0.38    -0.65     16
  25       H     0.41     2.02     6.86     -40.82      -0.28     1.74     16
  26       H     0.12     1.06     8.06     -52.49      -0.42     0.63     16
  27       H     0.13     1.51     8.06     -52.49      -0.42     1.09     16
  28       H     0.16     3.56     5.52     -52.49      -0.29     3.27     16
  29       H     0.14     2.97     6.07     -52.49      -0.32     2.65     16
  30       H     0.17     0.07     6.40     -52.49      -0.34    -0.27     16
  31       H     0.17     0.48     8.06     -52.48      -0.42     0.06     16
  32       H     0.35     3.72     9.30      45.56       0.42     4.15     16
  33       H     0.08     0.61     8.14     -51.93      -0.42     0.19     16
  34       H     0.08     0.64     8.14     -51.93      -0.42     0.22     16
  35       H     0.18     1.28     7.64     -52.49      -0.40     0.87     16
 Total:         -1.00   -39.36   320.24                 -4.37   -43.73