REAL300009850751.mol2 45                                                        
   1       O    -0.68   -22.80    17.78     -20.22      -0.36   -23.16     16
   2       C     0.52    15.08     4.54      36.01       0.16    15.25     16
   3       O    -0.68   -20.27    14.88     -20.23      -0.30   -20.57     16
   4       C    -0.15    -3.64     0.27    -154.42      -0.04    -3.69     16
   5       C     0.56    13.28     4.25     -10.98      -0.05    13.23     16
   6       O    -0.55   -14.27    14.70       5.56       0.08   -14.19     16
   7       N    -0.61   -11.89     2.97    -172.50      -0.51   -12.41     16
   8       C     0.06     1.10     5.01      -3.49      -0.02     1.08     16
   9       C    -0.13    -1.79     6.10     -26.38      -0.16    -1.95     16
  10       C    -0.09    -0.84     5.16     -26.69      -0.14    -0.98     16
  11       C    -0.17    -2.01     2.25     -90.50      -0.20    -2.22     16
  12       C     0.38     3.41     8.77      37.16       0.33     3.74     16
  13       O    -0.75   -14.95    17.78     -57.73      -1.03   -15.97     16
  14       O    -0.69   -14.39    16.89     -57.73      -0.97   -15.36     16
  15       C     0.12     1.84     5.72      -3.71      -0.02     1.82     16
  16       C    -0.09    -2.10     5.39     -24.34      -0.13    -2.23     16
  17       C    -0.11    -2.01     5.20     -85.21      -0.44    -2.45     16
  18       C    -0.11    -1.96     6.23     -24.19      -0.15    -2.11     16
  19       C    -0.13    -2.27     5.99     -24.33      -0.15    -2.41     16
  20       C    -0.07    -1.32     3.05     -85.35      -0.26    -1.58     16
  21       C    -0.12    -2.18     6.30     -22.45      -0.14    -2.32     16
  22       H     0.06     0.82     8.14     -51.93      -0.42     0.40     16
  23       H     0.15     3.33     2.12     -51.93      -0.11     3.22     16
  24       H     0.08     1.47     8.14     -51.93      -0.42     1.05     16
  25       H     0.09     1.07     8.14     -51.92      -0.42     0.65     16
  26       H     0.08     0.48     8.14     -51.92      -0.42     0.05     16
  27       H     0.08     0.48     8.14     -51.93      -0.42     0.06     16
  28       H     0.13     2.07     7.74     -51.92      -0.40     1.66     16
  29       H     0.14     0.69     8.14     -51.93      -0.42     0.27     16
  30       H     0.14     0.56     8.14     -51.93      -0.42     0.14     16
  31       H     0.32     5.92     8.90      45.56       0.41     6.32     16
  32       H     0.33     6.33     8.90      45.56       0.41     6.74     16
  33       H     0.11     2.18     7.00     -51.93      -0.36     1.82     16
  34       H     0.07     0.81     8.14     -51.93      -0.42     0.39     16
  35       H     0.08     1.88     6.19     -51.93      -0.32     1.56     16
  36       H     0.06     1.60     7.67     -51.93      -0.40     1.20     16
  37       H     0.09     1.48     8.14     -51.93      -0.42     1.06     16
  38       H     0.06     0.80     8.14     -51.93      -0.42     0.38     16
  39       H     0.06     1.15     7.84     -51.93      -0.41     0.74     16
  40       H     0.06     0.87     8.14     -51.93      -0.42     0.45     16
  41       H     0.06     1.10     6.23     -51.93      -0.32     0.78     16
  42       H     0.10     2.06     6.51     -51.93      -0.34     1.73     16
  43       H     0.08     1.64     7.77     -51.93      -0.40     1.23     16
  44       H     0.06     0.99     8.14     -51.93      -0.42     0.56     16
 Total:         -1.00   -44.17   333.80                 -6.80   -50.97