REAL300009850725.mol2 42                                                        
   1       O    -0.67   -24.31    17.40     -26.63      -0.46   -24.77     16
   2       C     0.50    16.46     8.13      36.01       0.29    16.75     16
   3       O    -0.69   -24.21    18.00     -20.22      -0.36   -24.58     16
   4       C    -0.01    -0.22     5.30      36.01       0.19    -0.03     16
   5       O    -0.28    -6.61     9.67     -39.29      -0.38    -6.99     16
   6       C     0.14     2.59     6.68     -39.27      -0.26     2.33     16
   7       C    -0.19    -2.81     9.03     -39.35      -0.36    -3.16     16
   8       C    -0.08    -0.84    10.03     -39.66      -0.40    -1.23     16
   9       C    -0.15    -1.38     7.38     -39.17      -0.29    -1.67     16
  10       C    -0.10    -1.21     4.88    -104.99      -0.51    -1.72     16
  11       C     0.57     6.12     7.18     -12.33      -0.09     6.03     16
  12       O    -0.51    -7.38    16.44       5.31       0.09    -7.30     16
  13       N    -0.62    -3.60     2.23    -173.28      -0.39    -3.99     16
  14       C     0.09     0.25     4.73      -2.94      -0.01     0.24     16
  15       C    -0.12    -0.18     5.71     -27.30      -0.16    -0.34     16
  16       C    -0.17    -0.98     4.61     -28.02      -0.13    -1.11     16
  17       C     0.40     2.82     4.83     -29.79      -0.14     2.68     16
  18       O    -0.76   -13.41    17.78     -57.73      -1.03   -14.44     16
  19       O    -0.72   -13.10    16.84     -57.73      -0.97   -14.07     16
  20       C    -0.21    -1.37     5.75     -28.28      -0.16    -1.53     16
  21       C     0.15     0.58     5.46      -3.78      -0.02     0.56     16
  22       C    -0.11    -1.72     9.66     -39.02      -0.38    -2.10     16
  23       H     0.06     1.37     7.66     -51.93      -0.40     0.98     16
  24       H     0.06     1.36     7.66     -51.93      -0.40     0.96     16
  25       H     0.13     1.90     6.28     -52.48      -0.33     1.57     16
  26       H     0.13     0.93     8.06     -52.49      -0.42     0.51     16
  27       H     0.13     0.71     6.75     -52.49      -0.35     0.35     16
  28       H     0.11     0.51     4.84     -51.93      -0.25     0.26     16
  29       H     0.08     0.05     7.90     -51.93      -0.41    -0.36     16
  30       H     0.12     0.03     8.14     -51.93      -0.42    -0.39     16
  31       H     0.08    -0.08     7.31     -51.93      -0.38    -0.46     16
  32       H     0.11     0.89     7.48     -51.93      -0.39     0.50     16
  33       H     0.13     0.92     7.91     -51.93      -0.41     0.51     16
  34       H     0.13     0.41     7.36     -51.93      -0.38     0.03     16
  35       H     0.32     5.24     8.90      45.56       0.41     5.65     16
  36       H     0.32     5.42     8.90      45.56       0.41     5.82     16
  37       H     0.12     1.12     8.14     -51.93      -0.42     0.70     16
  38       H     0.13     0.78     8.14     -51.93      -0.42     0.35     16
  39       H     0.10    -0.01     8.07     -51.93      -0.42    -0.43     16
  40       H     0.13     0.61     7.25     -51.93      -0.38     0.23     16
  41       H     0.14     2.38     8.06     -52.48      -0.42     1.96     16
 Total:         -1.00   -49.97   342.51                 -6.57   -56.54