REAL300009850754.mol2 42                                                        
   1       O    -0.67   -24.56    17.40     -26.63      -0.46   -25.03     16
   2       C     0.50    16.68     8.13      36.00       0.29    16.97     16
   3       O    -0.69   -24.49    18.00     -20.23      -0.36   -24.86     16
   4       C    -0.01    -0.21     5.30      36.00       0.19    -0.02     16
   5       O    -0.28    -6.87     9.67     -39.30      -0.38    -7.25     16
   6       C     0.14     2.76     6.68     -39.27      -0.26     2.50     16
   7       C    -0.20    -3.10     9.03     -39.35      -0.36    -3.46     16
   8       C    -0.08    -0.96    10.03     -39.66      -0.40    -1.36     16
   9       C    -0.15    -1.71     7.36     -39.17      -0.29    -2.00     16
  10       C    -0.09    -1.33     5.00    -104.99      -0.53    -1.85     16
  11       C     0.57     8.15     7.24     -12.32      -0.09     8.06     16
  12       O    -0.52    -9.69    16.47       5.32       0.09    -9.60     16
  13       N    -0.61    -5.73     2.97    -173.88      -0.52    -6.25     16
  14       C     0.09     0.49     5.38      -3.71      -0.02     0.47     16
  15       C    -0.13    -0.42     6.08     -26.62      -0.16    -0.58     16
  16       C    -0.10    -0.08     5.17     -26.69      -0.14    -0.22     16
  17       C    -0.17    -0.74     2.14     -90.50      -0.19    -0.93     16
  18       C     0.38     1.22     8.83      37.16       0.33     1.55     16
  19       O    -0.74   -11.60    17.78     -57.73      -1.03   -12.63     16
  20       O    -0.69   -11.03    16.40     -57.73      -0.95   -11.98     16
  21       C     0.12     0.93     5.71      -3.71      -0.02     0.90     16
  22       C    -0.11    -1.96     9.68     -39.02      -0.38    -2.33     16
  23       H     0.06     1.38     7.66     -51.93      -0.40     0.98     16
  24       H     0.06     1.41     7.66     -51.93      -0.40     1.01     16
  25       H     0.13     2.02     6.28     -52.48      -0.33     1.69     16
  26       H     0.13     1.10     8.06     -52.49      -0.42     0.68     16
  27       H     0.13     1.01     7.08     -52.48      -0.37     0.64     16
  28       H     0.11     0.73     4.55     -51.93      -0.24     0.49     16
  29       H     0.07     0.23     8.14     -51.93      -0.42    -0.19     16
  30       H     0.08     0.41     8.14     -51.93      -0.42    -0.01     16
  31       H     0.09     0.12     8.14     -51.93      -0.42    -0.30     16
  32       H     0.08    -0.10     8.14     -51.93      -0.42    -0.52     16
  33       H     0.08    -0.11     8.14     -51.93      -0.42    -0.53     16
  34       H     0.13     0.97     7.74     -51.93      -0.40     0.57     16
  35       H     0.14    -0.05     8.14     -51.93      -0.42    -0.47     16
  36       H     0.14    -0.14     8.14     -51.93      -0.42    -0.56     16
  37       H     0.33     4.74     8.90      45.56       0.41     5.15     16
  38       H     0.33     4.99     8.90      45.56       0.41     5.40     16
  39       H     0.07     0.38     8.14     -51.93      -0.42    -0.04     16
  40       H     0.12     1.49     6.62     -51.93      -0.34     1.15     16
  41       H     0.14     2.61     8.06     -52.49      -0.42     2.19     16
 Total:         -1.00   -51.04   347.07                 -6.29   -57.33