REAL300009850845.mol2 42                                                        
   1       C     0.10     1.29    11.31      59.85       0.68     1.97     16
   2       N    -0.36    -6.86     4.01     -63.79      -0.26    -7.11     16
   3       N    -0.30    -6.21    12.50      30.78       0.38    -5.82     16
   4       C     0.08     1.75    11.79     -17.10      -0.20     1.55     16
   5       C    -0.23    -6.07     6.16    -104.75      -0.64    -6.71     16
   6       C     0.55    18.25     8.06      34.48       0.28    18.52     16
   7       O    -0.69   -24.60    17.82     -20.55      -0.37   -24.97     16
   8       O    -0.68   -24.29    16.69     -20.54      -0.34   -24.64     16
   9       C     0.05     1.25     5.69     -82.12      -0.47     0.78     16
  10       C     0.63    13.92     5.73     -12.45      -0.07    13.85     16
  11       O    -0.51   -13.00    17.44       5.31       0.09   -12.91     16
  12       N    -0.61    -9.98     3.34    -171.99      -0.57   -10.55     16
  13       C     0.10     1.29     6.65      -2.35      -0.02     1.27     16
  14       C    -0.11    -0.98     6.44     -25.11      -0.16    -1.14     16
  15       C    -0.09    -0.67     0.92    -154.42      -0.14    -0.81     16
  16       C    -0.09    -0.22     6.89     -26.46      -0.18    -0.41     16
  17       C    -0.18    -0.77     4.25     -89.58      -0.38    -1.15     16
  18       C     0.39     1.47     8.98      37.16       0.33     1.80     16
  19       O    -0.74   -11.89    17.78     -57.73      -1.03   -12.92     16
  20       O    -0.72   -11.38    17.78     -57.73      -1.03   -12.41     16
  21       C    -0.11    -0.72     6.98     -26.37      -0.18    -0.90     16
  22       C     0.13     1.65     6.24      -3.53      -0.02     1.62     16
  23       H     0.07     0.68     8.14     -51.93      -0.42     0.26     16
  24       H     0.09     0.95     8.14     -51.93      -0.42     0.53     16
  25       H     0.08     0.93     7.66     -51.93      -0.40     0.53     16
  26       H     0.19     3.96     8.06     -52.49      -0.42     3.54     16
  27       H     0.08     1.33     7.79     -51.93      -0.40     0.92     16
  28       H     0.06     0.61     8.14     -51.93      -0.42     0.19     16
  29       H     0.09     0.43     7.98     -51.93      -0.41     0.02     16
  30       H     0.09     0.97     8.14     -51.93      -0.42     0.55     16
  31       H     0.10     0.23     8.03     -51.93      -0.42    -0.19     16
  32       H     0.10    -0.04     7.99     -51.93      -0.41    -0.46     16
  33       H     0.14     0.83     8.14     -51.93      -0.42     0.41     16
  34       H     0.14     0.05     7.88     -51.93      -0.41    -0.36     16
  35       H     0.14     0.01     8.14     -51.93      -0.42    -0.42     16
  36       H     0.33     4.76     8.90      45.56       0.41     5.17     16
  37       H     0.33     4.73     8.90      45.56       0.41     5.13     16
  38       H     0.10     0.51     7.92     -51.93      -0.41     0.10     16
  39       H     0.09     0.84     8.01     -51.92      -0.42     0.42     16
  40       H     0.08     1.22     7.99     -51.92      -0.41     0.81     16
  41       H     0.07     0.75     7.89     -51.93      -0.41     0.34     16
 Total:         -1.00   -53.01   357.30                 -5.17   -58.18