REAL300009356171.mol2 32                                                        
   1       O    -0.71   -47.60    17.23      17.92       0.31   -47.29     16
   2       C     0.50    31.12     8.01      70.35       0.56    31.69     16
   3       O    -0.72   -49.66    17.23      17.92       0.31   -49.35     16
   4       C    -0.14    -6.28     5.88     -20.07      -0.12    -6.40     16
   5       C    -0.06    -2.20     9.58      22.52       0.22    -1.98     16
   6       C    -0.07    -1.57     8.50      22.48       0.19    -1.38     16
   7       C    -0.10    -2.58     5.40     -20.02      -0.11    -2.69     16
   8       C     0.59    12.83     6.83      86.84       0.59    13.42     16
   9       O    -0.52   -14.99    15.82      -3.82      -0.06   -15.05     16
  10       N    -0.61    -7.16     3.33    -814.98      -2.71    -9.87     16
  11       C     0.09     0.33     5.68      86.72       0.49     0.83     16
  12       C    -0.16    -0.35     6.17      31.78       0.20    -0.15     16
  13       C     0.40     2.99     6.78      31.99       0.22     3.21     16
  14       O    -0.77   -23.81    17.76    -127.47      -2.26   -26.07     16
  15       O    -0.75   -20.40    16.58    -127.47      -2.11   -22.52     16
  16       C     0.06     0.69     6.86      86.86       0.60     1.29     16
  17       C    -0.06    -2.02     6.24      22.54       0.14    -1.88     16
  18       Br   -0.03    -0.79    31.55     -20.37      -0.64    -1.44     16
  19       C    -0.06    -2.52     9.32      22.54       0.21    -2.31     16
  20       H     0.14     4.87     7.63      -2.91      -0.02     4.85     16
  21       H     0.19     2.17     6.07      -2.91      -0.02     2.15     16
  22       H     0.12     0.17     8.14      -2.39      -0.02     0.16     16
  23       H     0.12     0.15     6.05      -2.39      -0.01     0.14     16
  24       H     0.14     0.74     7.57      -2.38      -0.02     0.73     16
  25       H     0.16    -0.49     8.14      -2.39      -0.02    -0.50     16
  26       H     0.22    -0.26     8.14      -2.39      -0.02    -0.28     16
  27       H     0.33     9.23     8.90     -74.06      -0.66     8.57     16
  28       H     0.33     8.46     8.90     -74.06      -0.66     7.80     16
  29       H     0.11     1.45     8.14      -2.38      -0.02     1.43     16
  30       H     0.12     1.56     8.08      -2.39      -0.02     1.54     16
  31       H     0.13     5.51     7.63      -2.91      -0.02     5.48     16
 Total:         -1.00  -100.40   298.16                 -5.49  -105.90