REAL300009850883.mol2 29                                                        
   1       O    -0.71   -47.97    17.23      17.89       0.31   -47.66     15
   2       C     0.50    31.53     8.01      70.35       0.56    32.09     15
   3       O    -0.72   -50.49    17.23      17.93       0.31   -50.18     15
   4       C    -0.13    -6.30     5.88     -20.07      -0.12    -6.42     15
   5       C    -0.08    -2.53     9.58      22.52       0.22    -2.31     15
   6       C    -0.06    -1.18     9.52      22.48       0.21    -0.97     15
   7       C    -0.12    -2.94     5.88     -20.02      -0.12    -3.06     15
   8       C     0.57    11.31     7.77      86.85       0.67    11.98     15
   9       O    -0.51   -13.92    13.01      -3.81      -0.05   -13.97     15
  10       N    -0.68    -4.79     5.52    -445.10      -2.46    -7.25     15
  11       C     0.08     0.57     6.43      45.01       0.29     0.86     15
  12       H     0.16     2.31     7.40      -2.38      -0.02     2.30     15
  13       C    -0.12     0.26    10.45      30.60       0.32     0.58     15
  14       C     0.31     1.74     9.71      30.62       0.30     2.04     15
  15       H     0.25    -1.54     8.14      -2.39      -0.02    -1.56     15
  16       O    -0.76   -23.30    17.78    -127.47      -2.27   -25.57     15
  17       O    -0.78   -27.48    17.78    -127.47      -2.27   -29.74     15
  18       C    -0.06    -2.05     6.25      22.54       0.14    -1.91     15
  19       Br   -0.02    -0.52    30.36     -20.37      -0.62    -1.14     15
  20       C    -0.07    -3.02     9.32      22.54       0.21    -2.81     15
  21       H     0.15     4.83     7.63      -2.91      -0.02     4.81     15
  22       H     0.20     1.08     6.39      -2.91      -0.02     1.07     15
  23       H     0.43    -0.97     6.85     -92.71      -0.63    -1.61     15
  24       H     0.22    -2.73     8.14      -2.39      -0.02    -2.75     15
  25       H     0.17     0.00     8.14      -2.39      -0.02    -0.02     15
  26       H     0.33     9.49     8.90     -74.06      -0.66     8.83     15
  27       H     0.32    10.54     8.90     -74.06      -0.66     9.88     15
  28       H     0.12     5.61     7.63      -2.91      -0.02     5.59     15
 Total:         -1.00  -112.48   285.86                 -6.44  -118.92