REAL300009850867.mol2 49                                                        
   1       O    -0.70   -25.60    16.88     -20.23      -0.34   -25.94     16
   2       C     0.49    16.82     8.05      36.00       0.29    17.11     16
   3       O    -0.71   -26.85    18.00     -20.23      -0.36   -27.21     16
   4       C    -0.18    -4.78     5.69     -27.89      -0.16    -4.94     16
   5       C    -0.09    -1.98     3.99     -26.73      -0.11    -2.09     16
   6       C     0.07     1.25     3.41     -26.15      -0.09     1.16     16
   7       C    -0.14    -1.93     6.02     -25.20      -0.15    -2.08     16
   8       C    -0.14    -1.61     3.00     -89.76      -0.27    -1.88     16
   9       C     0.54     5.98     7.23     -10.99      -0.08     5.90     16
  10       O    -0.53    -7.84    15.78       5.56       0.09    -7.75     16
  11       N    -0.62    -4.40     3.34    -170.79      -0.57    -4.97     16
  12       C     0.09     0.36     6.03      -2.86      -0.02     0.34     16
  13       C    -0.12    -0.14     6.34     -25.51      -0.16    -0.30     16
  14       C    -0.10    -0.16     0.93    -154.50      -0.14    -0.30     16
  15       C    -0.11    -0.17     6.91     -26.53      -0.18    -0.35     16
  16       C    -0.17    -0.19     3.38     -89.56      -0.30    -0.49     16
  17       C     0.39     0.41     9.38      37.16       0.35     0.76     16
  18       O    -0.74   -10.36    17.78     -57.73      -1.03   -11.38     16
  19       O    -0.71    -8.82    16.98     -57.73      -0.98    -9.80     16
  20       C    -0.09     0.03     6.96     -26.53      -0.18    -0.15     16
  21       C     0.13     0.70     6.18      -3.01      -0.02     0.68     16
  22       C     0.06     0.65     6.17      38.21       0.24     0.88     16
  23       O    -0.36    -5.91    10.81     -35.23      -0.38    -6.29     16
  24       H     0.06     1.61     7.89     -51.93      -0.41     1.20     16
  25       H     0.05     1.34     8.14     -51.93      -0.42     0.91     16
  26       H     0.07     1.65     8.10     -51.93      -0.42     1.23     16
  27       H     0.07     1.57     8.10     -51.93      -0.42     1.14     16
  28       H     0.07     1.11     8.14     -51.93      -0.42     0.68     16
  29       H     0.09     1.27     7.70     -51.93      -0.40     0.87     16
  30       H     0.09     1.30     6.94     -51.93      -0.36     0.94     16
  31       H     0.11     1.16     8.14     -51.93      -0.42     0.74     16
  32       H     0.08     0.26     5.88     -51.93      -0.31    -0.05     16
  33       H     0.08     0.30     8.14     -51.93      -0.42    -0.12     16
  34       H     0.09    -0.05     7.99     -51.93      -0.42    -0.47     16
  35       H     0.09     0.11     8.14     -51.93      -0.42    -0.32     16
  36       H     0.10     0.00     7.90     -51.93      -0.41    -0.41     16
  37       H     0.09     0.37     8.12     -51.93      -0.42    -0.05     16
  38       H     0.14     0.44     8.14     -51.93      -0.42     0.02     16
  39       H     0.14    -0.26     8.14     -51.93      -0.42    -0.68     16
  40       H     0.14    -0.38     7.85     -51.93      -0.41    -0.79     16
  41       H     0.33     4.06     8.90      45.56       0.41     4.47     16
  42       H     0.33     3.76     8.90      45.56       0.41     4.17     16
  43       H     0.10     0.06     8.13     -51.93      -0.42    -0.36     16
  44       H     0.10    -0.32     8.01     -51.93      -0.42    -0.73     16
  45       H     0.08     0.46     8.14     -51.93      -0.42     0.04     16
  46       H     0.08     0.54     8.00     -51.93      -0.42     0.13     16
  47       H     0.06     0.59     8.04     -51.93      -0.42     0.17     16
  48       H     0.09     0.75     6.30     -51.93      -0.33     0.43     16
 Total:         -1.00   -52.82   387.14                 -7.27   -60.10