REAL300009850777.mol2 39                                                        
   1       O    -0.65   -22.55    17.77     -20.67      -0.37   -22.91     16
   2       C     0.56    18.17     8.03      34.07       0.27    18.45     16
   3       O    -0.66   -23.39    18.01     -23.81      -0.43   -23.82     16
   4       C    -0.01    -0.24     7.17     -36.34      -0.26    -0.50     16
   5       C    -0.21    -4.62    10.64     -39.13      -0.42    -5.03     16
   6       C    -0.16    -2.96    10.88     -39.07      -0.42    -3.39     16
   7       C    -0.06    -1.20     7.02     -36.32      -0.25    -1.45     16
   8       C     0.04     0.68     9.64     -37.38      -0.36     0.32     16
   9       C    -0.24    -3.46     8.99     -37.35      -0.34    -3.79     16
  10       C     0.56     7.18     7.62     -12.93      -0.10     7.08     16
  11       O    -0.55    -8.27    15.66       5.20       0.08    -8.19     16
  12       N    -0.62    -5.64     2.97    -174.11      -0.52    -6.16     16
  13       C     0.10     0.88     6.34      -3.48      -0.02     0.86     16
  14       C    -0.13    -0.93     5.38     -26.39      -0.14    -1.07     16
  15       C    -0.15    -0.58     1.95     -90.58      -0.18    -0.76     16
  16       C     0.38     1.31     8.82      37.16       0.33     1.63     16
  17       O    -0.73   -11.43    17.78     -57.73      -1.03   -12.46     16
  18       O    -0.71   -10.21    16.37     -57.73      -0.94   -11.15     16
  19       C    -0.11    -0.25     5.36     -26.61      -0.14    -0.40     16
  20       C     0.12     0.69     6.44      -3.71      -0.02     0.67     16
  21       O    -0.14    -3.41    10.28      -1.79      -0.02    -3.43     16
  22       H     0.15     3.26     8.06     -52.48      -0.42     2.83     16
  23       H     0.15     2.11     8.06     -52.49      -0.42     1.68     16
  24       H     0.15     2.01     7.53     -52.49      -0.40     1.62     16
  25       H     0.14     1.98     5.62     -52.49      -0.30     1.68     16
  26       H     0.08     0.63     8.14     -51.93      -0.42     0.21     16
  27       H     0.10     1.02     5.37     -51.93      -0.28     0.74     16
  28       H     0.08     0.50     8.14     -51.93      -0.42     0.07     16
  29       H     0.10     0.95     7.71     -51.93      -0.40     0.55     16
  30       H     0.13     0.66     7.73     -51.93      -0.40     0.26     16
  31       H     0.14     0.13     8.14     -51.93      -0.42    -0.30     16
  32       H     0.14    -0.13     8.14     -51.93      -0.42    -0.55     16
  33       H     0.33     4.64     8.90      45.56       0.41     5.04     16
  34       H     0.33     4.41     8.90      45.56       0.41     4.81     16
  35       H     0.09     0.18     8.14     -51.93      -0.42    -0.24     16
  36       H     0.09    -0.07     8.14     -51.93      -0.42    -0.49     16
  37       H     0.11     0.74     7.00     -51.92      -0.36     0.38     16
  38       H     0.08     0.36     8.14     -51.93      -0.42    -0.06     16
 Total:         -1.00   -46.87   335.00                 -5.36   -52.23