REAL300013458652.mol2 32                                                        
   1       O    -0.69   -24.77    18.00     -20.23      -0.36   -25.13     16
   2       C     0.53    17.39     7.76      36.01       0.28    17.67     16
   3       O    -0.69   -24.66    18.00     -20.23      -0.36   -25.02     16
   4       C    -0.19    -4.57     3.50    -155.66      -0.55    -5.12     16
   5       C    -0.11    -2.04    10.04     -26.73      -0.27    -2.31     16
   6       C    -0.21    -3.98     7.77     -90.62      -0.70    -4.68     16
   7       H     0.11     2.17     8.14     -51.93      -0.42     1.74     16
   8       C     0.18     3.02     4.18     -67.93      -0.28     2.74     16
   9       H     0.12     1.99     7.48     -51.93      -0.39     1.60     16
  10       N    -0.71    -9.21     5.30     -58.68      -0.31    -9.52     16
  11       C     0.70     8.93     8.38     -86.92      -0.73     8.20     16
  12       O    -0.56    -8.55    13.35       5.30       0.07    -8.48     16
  13       N    -0.67    -6.64     5.34     -12.63      -0.07    -6.71     16
  14       C     0.23     2.21     6.51     -81.29      -0.53     1.68     16
  15       C    -0.13    -1.01     8.54     -39.97      -0.34    -1.35     16
  16       C    -0.02    -0.10     9.83     -40.13      -0.39    -0.49     16
  17       C    -0.11    -0.61    10.27     -37.01      -0.38    -0.99     16
  18       C     0.19     1.83     7.36     -79.59      -0.59     1.25     16
  19       C     0.15     1.67     7.34     -79.31      -0.58     1.09     16
  20       N    -0.36    -4.95    19.00      35.14       0.67    -4.28     16
  21       N    -0.31    -3.75    19.04      34.97       0.67    -3.09     16
  22       C    -0.09    -1.89     7.56     -26.73      -0.20    -2.09     16
  23       H     0.11     2.15     8.14     -51.93      -0.42     1.73     16
  24       H     0.08     1.19     7.89     -51.93      -0.41     0.78     16
  25       H     0.40     4.24     8.38     -40.82      -0.34     3.89     16
  26       H     0.41     3.29     8.84     -40.82      -0.36     2.93     16
  27       H     0.17     1.48     6.04     -52.49      -0.32     1.16     16
  28       H     0.15     0.22     8.06     -52.49      -0.42    -0.20     16
  29       H     0.16     0.43     8.06     -52.48      -0.42     0.01     16
  30       H     0.09     1.92     8.14     -51.93      -0.42     1.50     16
  31       H     0.07     1.32     8.11     -51.93      -0.42     0.90     16
 Total:         -1.00   -41.24   284.37                 -5.04   -46.28