REAL300013458598.mol2 36                                                        
   1       C    -0.12    -2.53     8.03      37.15       0.30    -2.23     16
   2       C    -0.13    -3.06     0.72    -155.66      -0.11    -3.17     16
   3       C    -0.12    -2.57     8.03      37.16       0.30    -2.27     16
   4       C    -0.10    -1.86     3.67     -26.73      -0.10    -1.96     16
   5       C     0.13     1.94     4.97      -4.04      -0.02     1.92     16
   6       N    -0.73    -8.99     5.56     -65.23      -0.36    -9.36     16
   7       C     0.70     8.68     8.33     -86.93      -0.72     7.95     16
   8       O    -0.56    -8.22    13.49       5.29       0.07    -8.15     16
   9       N    -0.67    -6.66     5.36     -12.63      -0.07    -6.73     16
  10       C     0.24     2.38     6.64     -81.29      -0.54     1.84     16
  11       C    -0.16    -1.30     8.58     -39.97      -0.34    -1.65     16
  12       C     0.00    -0.01     9.83     -40.13      -0.39    -0.40     16
  13       C    -0.13    -0.70    10.27     -37.01      -0.38    -1.08     16
  14       C     0.20     1.88     7.36     -79.58      -0.59     1.29     16
  15       C     0.14     1.57     7.33     -79.31      -0.58     0.99     16
  16       N    -0.38    -5.12    18.95      35.14       0.67    -4.45     16
  17       N    -0.29    -3.42    19.05      34.97       0.67    -2.75     16
  18       C     0.50    15.89     6.72      36.01       0.24    16.13     16
  19       O    -0.70   -24.00    16.88     -20.23      -0.34   -24.34     16
  20       O    -0.70   -24.34    17.66     -20.22      -0.36   -24.70     16
  21       H     0.04     0.73     6.43     -51.93      -0.33     0.40     16
  22       H     0.06     1.25     8.09     -51.93      -0.42     0.83     16
  23       H     0.04     0.93     8.14     -51.92      -0.42     0.51     16
  24       H     0.04     0.94     8.14     -51.93      -0.42     0.52     16
  25       H     0.06     1.26     8.09     -51.93      -0.42     0.84     16
  26       H     0.04     0.75     6.43     -51.93      -0.33     0.41     16
  27       H     0.07     1.35     8.10     -51.93      -0.42     0.93     16
  28       H     0.07     1.35     8.10     -51.93      -0.42     0.93     16
  29       H     0.07     1.10     6.43     -51.93      -0.33     0.77     16
  30       H     0.07     1.12     6.43     -51.92      -0.33     0.79     16
  31       H     0.40     4.16     8.49     -40.82      -0.35     3.82     16
  32       H     0.41     3.48     8.77     -40.82      -0.36     3.12     16
  33       H     0.17     1.60     5.60     -52.49      -0.29     1.31     16
  34       H     0.15     0.23     8.06     -52.49      -0.42    -0.20     16
  35       H     0.16     0.41     8.06     -52.49      -0.42    -0.01     16
 Total:         -1.00   -39.78   300.79                 -3.84   -43.62