REAL300009850838.mol2 44                                                        
   1       C    -0.12    -2.28     6.73      37.16       0.25    -2.03     16
   2       C    -0.11    -2.54     0.82    -156.81      -0.13    -2.67     16
   3       C    -0.12    -2.19     8.27      37.16       0.31    -1.88     16
   4       C     0.51    15.31     6.80      36.01       0.24    15.55     16
   5       O    -0.69   -23.15    17.07     -20.23      -0.35   -23.50     16
   6       O    -0.68   -22.46    15.44     -20.23      -0.31   -22.77     16
   7       C     0.00     0.00     4.67    -104.53      -0.49    -0.49     16
   8       C    -0.08    -1.57     7.91     -39.64      -0.31    -1.88     16
   9       C    -0.07    -1.11     9.65     -39.19      -0.38    -1.48     16
  10       C    -0.16    -2.27     5.09    -104.97      -0.53    -2.81     16
  11       C     0.58     7.45     7.31     -12.33      -0.09     7.36     16
  12       O    -0.51    -8.63    16.36       5.31       0.09    -8.55     16
  13       N    -0.60    -5.06     2.97    -173.88      -0.52    -5.58     16
  14       C     0.08     0.35     4.92      -3.71      -0.02     0.34     16
  15       C    -0.11    -0.28     6.08     -26.61      -0.16    -0.45     16
  16       C    -0.17    -0.78     5.10     -26.69      -0.14    -0.91     16
  17       C     0.38     2.97     6.08     -26.61      -0.16     2.81     16
  18       O    -0.71   -12.00    17.05     -57.73      -0.98   -12.99     16
  19       O    -0.73   -11.74    16.89     -57.73      -0.97   -12.71     16
  20       C     0.07     0.59     5.56      -3.71      -0.02     0.57     16
  21       C    -0.10    -1.26     7.40     -39.18      -0.29    -1.55     16
  22       C    -0.14    -2.12     8.96     -39.64      -0.36    -2.47     16
  23       H     0.04     0.60     7.50     -51.93      -0.39     0.21     16
  24       H     0.06     1.29     7.85     -51.93      -0.41     0.88     16
  25       H     0.05     0.97     7.50     -51.93      -0.39     0.58     16
  26       H     0.05     1.02     7.38     -51.93      -0.38     0.64     16
  27       H     0.06     1.11     8.14     -51.93      -0.42     0.69     16
  28       H     0.04     0.69     8.14     -51.93      -0.42     0.26     16
  29       H     0.14     2.90     6.75     -52.49      -0.35     2.55     16
  30       H     0.13     1.90     8.06     -52.48      -0.42     1.48     16
  31       H     0.13     0.70     4.80     -51.93      -0.25     0.45     16
  32       H     0.09     0.26     8.13     -51.93      -0.42    -0.16     16
  33       H     0.12     0.04     8.14     -51.93      -0.42    -0.38     16
  34       H     0.09     0.20     8.14     -51.93      -0.42    -0.22     16
  35       H     0.11     0.48     8.14     -51.93      -0.42     0.06     16
  36       H     0.12     0.61     7.88     -51.93      -0.41     0.20     16
  37       H     0.15     0.81     8.14     -51.93      -0.42     0.39     16
  38       H     0.33     4.83     8.90      45.56       0.41     5.24     16
  39       H     0.32     4.66     8.90      45.56       0.41     5.06     16
  40       H     0.13     1.54     6.97     -51.93      -0.36     1.18     16
  41       H     0.11     0.86     8.14     -51.93      -0.42     0.44     16
  42       H     0.12     1.12     6.70     -52.48      -0.35     0.76     16
  43       H     0.13     1.79     5.87     -52.49      -0.31     1.48     16
 Total:         -1.00   -44.38   347.30                 -6.68   -51.07