REAL300009850866.mol2 42                                                        
   1       C     0.09     1.46    10.55      59.84       0.63     2.09     16
   2       N    -0.27    -5.66     3.75     -64.20      -0.24    -5.90     16
   3       N    -0.23    -5.95    11.96      33.30       0.40    -5.55     16
   4       C    -0.02    -0.48     7.10     -82.96      -0.59    -1.07     16
   5       C     0.56    18.70     8.06      34.47       0.28    18.98     16
   6       O    -0.68   -23.41    17.81     -20.55      -0.37   -23.77     16
   7       O    -0.67   -24.46    17.99     -20.55      -0.37   -24.83     16
   8       C    -0.15    -3.34     9.01     -38.98      -0.35    -3.70     16
   9       C    -0.07    -1.41     6.84     -82.47      -0.56    -1.97     16
  10       C     0.62    10.07     7.81     -12.62      -0.10     9.97     16
  11       O    -0.55    -9.69    15.22       5.26       0.08    -9.61     16
  12       N    -0.61    -7.31     3.34    -172.13      -0.57    -7.89     16
  13       C     0.09     0.84     5.13      -2.35      -0.01     0.82     16
  14       C    -0.12    -0.65     6.44     -25.11      -0.16    -0.81     16
  15       C    -0.09    -0.44     0.92    -154.41      -0.14    -0.58     16
  16       C    -0.09    -0.14     6.89     -26.45      -0.18    -0.32     16
  17       C    -0.17    -0.49     3.18     -89.58      -0.28    -0.77     16
  18       C     0.39     0.95     9.52      37.15       0.35     1.30     16
  19       O    -0.74   -11.12    17.78     -57.73      -1.03   -12.14     16
  20       O    -0.71    -9.82    16.57     -57.73      -0.96   -10.78     16
  21       C    -0.11    -0.43     6.98     -26.37      -0.18    -0.61     16
  22       C     0.14     1.17     6.24      -3.53      -0.02     1.15     16
  23       H     0.08     1.09     8.14     -51.93      -0.42     0.67     16
  24       H     0.09     1.25     8.14     -51.93      -0.42     0.83     16
  25       H     0.10     1.38     6.79     -51.93      -0.35     1.02     16
  26       H     0.17     3.10     4.91     -52.48      -0.26     2.84     16
  27       H     0.10     1.17     5.94     -51.93      -0.31     0.86     16
  28       H     0.08     0.74     7.76     -51.93      -0.40     0.34     16
  29       H     0.09     0.30     7.98     -51.93      -0.41    -0.11     16
  30       H     0.09     0.51     8.14     -51.93      -0.42     0.09     16
  31       H     0.10     0.19     8.03     -51.93      -0.42    -0.23     16
  32       H     0.10    -0.11     7.99     -51.93      -0.41    -0.53     16
  33       H     0.14     0.72     7.78     -51.93      -0.40     0.31     16
  34       H     0.14    -0.14     7.88     -51.93      -0.41    -0.55     16
  35       H     0.14    -0.14     8.14     -51.93      -0.42    -0.57     16
  36       H     0.33     4.36     8.90      45.56       0.41     4.77     16
  37       H     0.33     4.16     8.90      45.56       0.41     4.57     16
  38       H     0.10     0.21     7.92     -51.93      -0.41    -0.20     16
  39       H     0.09     0.56     8.01     -51.93      -0.42     0.15     16
  40       H     0.08     0.75     7.99     -51.93      -0.41     0.33     16
  41       H     0.07     0.62     7.89     -51.93      -0.41     0.21     16
 Total:         -1.00   -50.89   346.32                 -5.08   -55.97