REAL300009850747.mol2 44                                                        
   1       C    -0.12    -2.42     7.04      37.16       0.26    -2.16     16
   2       C    -0.12    -2.70     0.77    -156.81      -0.12    -2.82     16
   3       C    -0.11    -2.34     8.20      37.16       0.30    -2.03     16
   4       C     0.51    15.89     6.58      36.00       0.24    16.13     16
   5       O    -0.68   -23.57    15.99     -20.23      -0.32   -23.89     16
   6       O    -0.69   -23.89    17.67     -20.23      -0.36   -24.25     16
   7       C     0.01     0.15     4.39    -104.53      -0.46    -0.31     16
   8       C    -0.09    -1.83     7.90     -39.64      -0.31    -2.15     16
   9       C    -0.07    -1.26     9.64     -39.18      -0.38    -1.64     16
  10       C    -0.16    -2.62     5.48    -104.97      -0.58    -3.20     16
  11       C     0.59     9.34     7.46     -12.33      -0.09     9.25     16
  12       O    -0.53   -10.57    17.15       5.32       0.09   -10.48     16
  13       N    -0.62    -6.68     3.33    -171.51      -0.57    -7.25     16
  14       C     0.10     0.58     5.82      -2.98      -0.02     0.56     16
  15       C    -0.11    -0.10     6.42     -24.90      -0.16    -0.26     16
  16       C    -0.16    -0.62     2.70     -88.47      -0.24    -0.86     16
  17       C     0.38     0.95     9.10      37.16       0.34     1.28     16
  18       O    -0.70    -9.95    15.18     -57.73      -0.88   -10.83     16
  19       O    -0.74   -11.03    17.78     -57.73      -1.03   -12.06     16
  20       C     0.12     1.04     5.89      -2.53      -0.01     1.03     16
  21       C    -0.10    -1.43     8.47     -39.19      -0.33    -1.77     16
  22       C    -0.14    -2.40     8.96     -39.64      -0.36    -2.75     16
  23       H     0.04     0.70     7.50     -51.93      -0.39     0.31     16
  24       H     0.06     1.28     8.09     -51.93      -0.42     0.86     16
  25       H     0.05     0.99     7.51     -51.93      -0.39     0.60     16
  26       H     0.05     0.99     7.38     -51.93      -0.38     0.61     16
  27       H     0.06     1.31     8.09     -51.93      -0.42     0.89     16
  28       H     0.04     0.70     8.14     -51.93      -0.42     0.28     16
  29       H     0.13     2.78     7.50     -52.49      -0.39     2.39     16
  30       H     0.12     2.19     8.06     -52.49      -0.42     1.77     16
  31       H     0.09     0.47     5.48     -51.93      -0.28     0.19     16
  32       H     0.08     0.50     8.14     -51.93      -0.42     0.08     16
  33       H     0.09    -0.14     8.04     -51.93      -0.42    -0.56     16
  34       H     0.11    -0.15     8.14     -51.93      -0.42    -0.57     16
  35       H     0.13     0.67     8.13     -51.93      -0.42     0.25     16
  36       H     0.14    -0.27     8.14     -51.93      -0.42    -0.70     16
  37       H     0.14    -0.12     8.10     -51.93      -0.42    -0.54     16
  38       H     0.33     4.39     8.90      45.56       0.41     4.79     16
  39       H     0.33     4.41     8.90      45.56       0.41     4.82     16
  40       H     0.11     1.42     6.75     -51.93      -0.35     1.07     16
  41       H     0.07     0.57     8.00     -51.93      -0.42     0.15     16
  42       H     0.12     1.30     5.65     -52.48      -0.30     1.00     16
  43       H     0.13     1.92     5.87     -52.49      -0.31     1.61     16
 Total:         -1.00   -49.53   352.44                 -6.28   -55.81