REAL300009850671.mol2 44                                                        
   1       C    -0.12    -2.45     7.04      37.15       0.26    -2.18     16
   2       C    -0.12    -2.59     0.77    -156.81      -0.12    -2.71     16
   3       C    -0.12    -2.28     8.20      37.16       0.30    -1.97     16
   4       C     0.51    15.18     6.58      36.00       0.24    15.42     16
   5       O    -0.69   -22.03    15.99     -20.23      -0.32   -22.35     16
   6       O    -0.69   -23.03    17.67     -20.23      -0.36   -23.39     16
   7       C     0.01     0.20     4.39    -104.53      -0.46    -0.26     16
   8       C    -0.08    -1.52     7.90     -39.64      -0.31    -1.83     16
   9       C    -0.10    -1.43     7.37     -39.19      -0.29    -1.71     16
  10       C    -0.17    -2.32     5.00    -104.96      -0.52    -2.85     16
  11       C     0.58     7.12     7.24     -12.33      -0.09     7.03     16
  12       O    -0.52    -7.79    16.47       5.32       0.09    -7.71     16
  13       N    -0.63    -5.14     2.98    -174.14      -0.52    -5.66     16
  14       C     0.11     0.80     5.34      -3.94      -0.02     0.78     16
  15       C    -0.18    -1.49     5.27     -26.83      -0.14    -1.63     16
  16       C     0.39     3.07     5.89     -26.69      -0.16     2.91     16
  17       O    -0.72   -13.21    16.88     -57.73      -0.97   -14.18     16
  18       O    -0.75   -13.15    16.88     -57.73      -0.97   -14.12     16
  19       C    -0.18    -1.18     5.29     -26.61      -0.14    -1.32     16
  20       C     0.13     0.72     6.43      -3.71      -0.02     0.69     16
  21       C    -0.07    -1.04     9.74     -39.18      -0.38    -1.43     16
  22       C    -0.13    -2.28     8.96     -39.64      -0.36    -2.64     16
  23       H     0.04     0.73     7.52     -51.93      -0.39     0.34     16
  24       H     0.06     1.29     8.09     -51.93      -0.42     0.87     16
  25       H     0.05     1.00     7.49     -51.93      -0.39     0.61     16
  26       H     0.05     0.93     7.38     -51.93      -0.38     0.55     16
  27       H     0.06     1.30     8.09     -51.93      -0.42     0.88     16
  28       H     0.04     0.71     8.14     -51.93      -0.42     0.29     16
  29       H     0.13     2.42     7.50     -52.48      -0.39     2.03     16
  30       H     0.12     1.28     7.07     -52.49      -0.37     0.91     16
  31       H     0.14     1.35     4.56     -51.92      -0.24     1.12     16
  32       H     0.09     0.34     8.14     -51.93      -0.42    -0.08     16
  33       H     0.13     1.16     7.87     -51.93      -0.41     0.75     16
  34       H     0.11     1.12     8.14     -51.93      -0.42     0.70     16
  35       H     0.15     0.54     8.14     -51.93      -0.42     0.11     16
  36       H     0.32     5.38     8.90      45.56       0.41     5.79     16
  37       H     0.32     5.21     8.90      45.56       0.41     5.62     16
  38       H     0.12     0.80     7.88     -51.93      -0.41     0.39     16
  39       H     0.11     0.90     8.14     -51.93      -0.42     0.48     16
  40       H     0.09     0.23     8.14     -51.93      -0.42    -0.19     16
  41       H     0.13     0.83     7.02     -51.93      -0.36     0.46     16
  42       H     0.12     1.64     8.06     -52.48      -0.42     1.21     16
  43       H     0.13     2.03     5.87     -52.48      -0.31     1.72     16
 Total:         -1.00   -44.65   349.32                 -6.65   -51.30