REAL300019966992.mol2 35                                                        
   1       O    -0.49    -7.39    13.77       5.34       0.07    -7.31     16
   2       C     0.55     5.72     7.62     -12.23      -0.09     5.62     16
   3       N    -0.66    -6.15     5.28     -10.68      -0.06    -6.21     16
   4       C     0.15     2.08     6.30     -83.75      -0.53     1.55     16
   5       C    -0.18    -2.22     9.96     -39.35      -0.39    -2.61     16
   6       C    -0.08    -1.16    10.03     -39.64      -0.40    -1.56     16
   7       C    -0.16    -3.26     9.40     -39.36      -0.37    -3.63     16
   8       C     0.22     4.97     6.69     -83.63      -0.56     4.41     16
   9       N    -0.46   -12.22     3.80     -14.03      -0.05   -12.28     16
  10       N    -0.10    -2.61    12.85      60.35       0.78    -1.84     16
  11       N    -0.05    -1.27    13.66      60.35       0.82    -0.44     16
  12       N    -0.51   -15.64    12.93      27.78       0.36   -15.28     16
  13       C     0.56    16.72     9.05     -86.42      -0.78    15.94     16
  14       O    -0.61   -18.75    15.32       5.10       0.08   -18.67     16
  15       C    -0.14    -2.75     8.31     -39.20      -0.33    -3.07     16
  16       C    -0.12    -0.74     5.88    -104.89      -0.62    -1.35     16
  17       C    -0.01    -0.09     9.58     -39.23      -0.38    -0.46     16
  18       C    -0.11    -0.70     9.74     -39.30      -0.38    -1.08     16
  19       C     0.34     2.71     9.79     -38.75      -0.38     2.33     16
  20       O    -0.66    -9.59    17.23     -57.73      -0.99   -10.58     16
  21       O    -0.67    -9.49    17.23     -57.73      -0.99   -10.49     16
  22       C    -0.11    -0.57     9.74     -39.31      -0.38    -0.95     16
  23       C    -0.05    -0.16     9.53     -39.23      -0.37    -0.53     16
  24       H     0.41     1.88     6.86     -40.82      -0.28     1.60     16
  25       H     0.12     1.03     8.06     -52.49      -0.42     0.61     16
  26       H     0.13     1.50     8.06     -52.48      -0.42     1.08     16
  27       H     0.16     3.54     5.52     -52.49      -0.29     3.25     16
  28       H     0.15     3.05     5.87     -52.49      -0.31     2.74     16
  29       H     0.18     1.02     7.64     -52.48      -0.40     0.62     16
  30       H     0.18     1.07     7.75     -52.49      -0.41     0.66     16
  31       H     0.34     3.90     8.90      45.56       0.41     4.30     16
  32       H     0.33     3.84     8.90      45.56       0.41     4.24     16
  33       H     0.18     0.78     7.75     -52.49      -0.41     0.38     16
  34       H     0.17     0.00     6.40     -52.48      -0.34    -0.33     16
 Total:         -1.00   -40.95   315.38                 -3.66   -44.60