REAL300009850771.mol2 42                                                        
   1       O    -0.67   -24.10    17.40     -26.62      -0.46   -24.56     16
   2       C     0.50    16.44     8.13      36.01       0.29    16.74     16
   3       O    -0.69   -24.26    18.00     -20.23      -0.36   -24.62     16
   4       C    -0.01    -0.21     5.30      36.01       0.19    -0.02     16
   5       O    -0.28    -6.59     9.67     -39.31      -0.38    -6.97     16
   6       C     0.14     2.54     6.68     -39.27      -0.26     2.27     16
   7       C    -0.19    -3.05     9.03     -39.35      -0.36    -3.40     16
   8       C    -0.08    -1.07    10.03     -39.66      -0.40    -1.47     16
   9       C    -0.12    -1.57     9.65     -39.17      -0.38    -1.94     16
  10       C    -0.10    -1.38     5.08    -104.99      -0.53    -1.91     16
  11       C     0.57     7.34     7.30     -12.32      -0.09     7.25     16
  12       O    -0.54    -8.11    16.37       5.32       0.09    -8.02     16
  13       N    -0.61    -5.76     2.97    -173.61      -0.51    -6.27     16
  14       C     0.10     0.90     4.96      -3.48      -0.02     0.88     16
  15       C    -0.14    -1.03     5.23     -26.38      -0.14    -1.17     16
  16       C    -0.15    -0.60     1.86     -90.58      -0.17    -0.77     16
  17       C     0.38     1.29     9.01      37.16       0.33     1.62     16
  18       O    -0.69   -10.02    14.55     -57.73      -0.84   -10.86     16
  19       O    -0.74   -11.72    17.78     -57.73      -1.03   -12.74     16
  20       C    -0.12    -0.25     5.36     -26.62      -0.14    -0.40     16
  21       C     0.12     0.70     6.44      -3.71      -0.02     0.68     16
  22       C    -0.13    -2.09     7.33     -39.02      -0.29    -2.38     16
  23       H     0.06     1.38     7.67     -51.93      -0.40     0.98     16
  24       H     0.06     1.38     7.64     -51.93      -0.40     0.98     16
  25       H     0.13     2.05     6.28     -52.49      -0.33     1.72     16
  26       H     0.13     1.28     8.06     -52.49      -0.42     0.86     16
  27       H     0.13     1.45     8.06     -52.49      -0.42     1.03     16
  28       H     0.08     0.78     8.13     -51.93      -0.42     0.36     16
  29       H     0.11     1.23     4.80     -51.93      -0.25     0.98     16
  30       H     0.07     0.46     8.14     -51.93      -0.42     0.04     16
  31       H     0.12     1.23     5.86     -51.93      -0.30     0.93     16
  32       H     0.12     0.66     8.03     -51.93      -0.42     0.25     16
  33       H     0.14     0.05     8.14     -51.93      -0.42    -0.37     16
  34       H     0.14    -0.09     8.14     -51.93      -0.42    -0.51     16
  35       H     0.33     4.55     8.90      45.56       0.41     4.96     16
  36       H     0.33     4.69     8.90      45.56       0.41     5.10     16
  37       H     0.08     0.15     8.14     -51.93      -0.42    -0.27     16
  38       H     0.09    -0.07     8.14     -51.93      -0.42    -0.50     16
  39       H     0.11     0.73     7.00     -51.93      -0.36     0.37     16
  40       H     0.08     0.40     8.14     -51.92      -0.42    -0.02     16
  41       H     0.14     2.07     6.72     -52.48      -0.35     1.72     16
 Total:         -1.00   -48.19   343.03                 -6.11   -54.30