REAL300013458601.mol2 30                                                        
   1       C    -0.13    -2.41     9.05      37.16       0.34    -2.07     15
   2       C    -0.17    -3.99     2.81     -91.77      -0.26    -4.25     15
   3       C     0.16     3.21     4.71      -4.04      -0.02     3.19     15
   4       N    -0.73   -10.90     5.29     -65.23      -0.34   -11.25     15
   5       C     0.70    10.27     8.33     -86.93      -0.72     9.55     15
   6       O    -0.56    -9.76    13.49       5.29       0.07    -9.69     15
   7       N    -0.67    -7.66     5.36     -12.63      -0.07    -7.73     15
   8       C     0.24     2.70     6.64     -81.29      -0.54     2.16     15
   9       C    -0.16    -1.55     8.58     -39.97      -0.34    -1.90     15
  10       C     0.00     0.00     9.83     -40.13      -0.39    -0.39     15
  11       C    -0.13    -0.84    10.27     -37.01      -0.38    -1.22     15
  12       C     0.20     2.06     7.36     -79.58      -0.59     1.47     15
  13       C     0.14     1.73     7.33     -79.31      -0.58     1.15     15
  14       N    -0.38    -5.44    18.95      35.14       0.67    -4.77     15
  15       N    -0.29    -3.67    19.05      34.97       0.67    -3.00     15
  16       C     0.50    15.88     6.99      36.01       0.25    16.13     15
  17       O    -0.70   -24.54    18.00     -20.22      -0.36   -24.91     15
  18       O    -0.69   -23.70    17.38     -20.22      -0.35   -24.05     15
  19       H     0.06     1.14     8.14     -51.93      -0.42     0.72     15
  20       H     0.05     1.05     8.14     -51.93      -0.42     0.62     15
  21       H     0.04     0.57     7.18     -51.93      -0.37     0.20     15
  22       H     0.07     1.49     8.14     -51.93      -0.42     1.07     15
  23       H     0.08     1.74     8.03     -51.93      -0.42     1.33     15
  24       H     0.07     1.46     8.14     -51.92      -0.42     1.04     15
  25       H     0.40     4.82     7.68     -40.82      -0.31     4.50     15
  26       H     0.41     3.94     8.77     -40.82      -0.36     3.58     15
  27       H     0.17     1.94     5.60     -52.49      -0.29     1.65     15
  28       H     0.15     0.41     8.06     -52.49      -0.42    -0.01     15
  29       H     0.16     0.56     8.06     -52.49      -0.42     0.14     15
 Total:         -1.00   -39.49   265.37                 -3.26   -42.75