REAL300009850708.mol2 45                                                        
   1       O    -0.70   -25.25    16.88     -20.23      -0.34   -25.59     16
   2       C     0.49    16.61     8.05      36.00       0.29    16.90     16
   3       O    -0.71   -26.56    18.00     -20.23      -0.36   -26.92     16
   4       C    -0.18    -4.71     5.72     -27.88      -0.16    -4.87     16
   5       C    -0.09    -1.83     4.13     -26.73      -0.11    -1.94     16
   6       C     0.07     1.17     3.25     -25.95      -0.08     1.08     16
   7       C    -0.14    -1.74     6.22     -25.17      -0.16    -1.89     16
   8       C    -0.15    -1.23     3.52     -90.20      -0.32    -1.55     16
   9       C     0.53     4.22     6.74     -10.99      -0.07     4.15     16
  10       O    -0.50    -5.75    12.95       5.56       0.07    -5.68     16
  11       N    -0.68    -3.09     5.31      -9.88      -0.05    -3.15     16
  12       C     0.19     0.96     6.25     -83.75      -0.52     0.44     16
  13       C    -0.14    -0.47     9.69     -38.96      -0.38    -0.85     16
  14       C    -0.03    -0.12     5.74    -106.77      -0.61    -0.73     16
  15       C    -0.06    -0.14     9.73     -39.52      -0.38    -0.53     16
  16       C    -0.11    -0.54     9.65     -39.64      -0.38    -0.93     16
  17       C     0.32     2.56     9.78     -38.67      -0.38     2.18     16
  18       O    -0.68    -9.98    17.19     -57.73      -0.99   -10.97     16
  19       O    -0.68    -9.80    17.20     -57.73      -0.99   -10.80     16
  20       C    -0.08    -0.49     9.49     -38.78      -0.37    -0.86     16
  21       C    -0.04    -0.19     5.74    -106.82      -0.61    -0.80     16
  22       C    -0.07    -0.35     9.74     -39.48      -0.38    -0.73     16
  23       C    -0.10    -0.60     8.55     -39.76      -0.34    -0.94     16
  24       C     0.06     0.51     7.17      37.94       0.27     0.78     16
  25       O    -0.36    -5.48    11.13     -35.23      -0.39    -5.87     16
  26       H     0.05     1.32     8.14     -51.93      -0.42     0.90     16
  27       H     0.06     1.57     8.01     -51.93      -0.42     1.16     16
  28       H     0.07     1.58     8.10     -51.93      -0.42     1.16     16
  29       H     0.08     1.64     8.10     -51.93      -0.42     1.22     16
  30       H     0.07     1.07     8.14     -51.93      -0.42     0.64     16
  31       H     0.09     1.07     7.87     -51.93      -0.41     0.66     16
  32       H     0.10     1.26     6.50     -51.93      -0.34     0.92     16
  33       H     0.12     0.71     8.14     -51.93      -0.42     0.29     16
  34       H     0.42     0.55     8.81     -40.82      -0.36     0.19     16
  35       H     0.15     0.07     8.06     -52.49      -0.42    -0.35     16
  36       H     0.17    -0.15     8.06     -52.49      -0.42    -0.57     16
  37       H     0.17     0.80     7.73     -52.48      -0.41     0.39     16
  38       H     0.33     4.00     8.90      45.56       0.41     4.40     16
  39       H     0.33     3.93     8.90      45.56       0.41     4.34     16
  40       H     0.18     1.04     7.73     -52.49      -0.41     0.64     16
  41       H     0.15     0.44     8.06     -52.49      -0.42     0.02     16
  42       H     0.15     1.07     6.40     -52.49      -0.34     0.73     16
  43       H     0.06     0.51     7.86     -51.93      -0.41     0.11     16
  44       H     0.10     0.59     8.14     -51.93      -0.42     0.17     16
 Total:         -1.00   -49.23   379.45                 -8.12   -57.35