REAL300009850746.mol2 34                                                        
   1       O    -0.72   -56.81    18.00      19.95       0.36   -56.45     16
   2       C     0.53    38.55     4.97      70.33       0.35    38.90     16
   3       O    -0.72   -57.18    17.79      22.02       0.39   -56.79     16
   4       C    -0.14    -7.77     5.76     -19.81      -0.11    -7.88     16
   5       C    -0.05    -1.91     9.70      22.76       0.22    -1.68     16
   6       C    -0.12    -3.38     6.25      22.46       0.14    -3.24     16
   7       Br    0.01     0.19    33.73     -20.37      -0.69    -0.49     16
   8       C     0.13     3.20    10.93      84.81       0.93     4.13     16
   9       N    -0.42   -12.78     6.90    -183.82      -1.27   -14.05     16
  10       C     0.09     4.15     6.75      42.31       0.29     4.43     16
  11       C     0.56    27.05     7.82      86.93       0.68    27.73     16
  12       O    -0.55   -35.14    14.48      12.35       0.18   -34.96     16
  13       N    -0.60   -18.83     3.33    -815.09      -2.71   -21.54     16
  14       C     0.10     1.54     5.40      86.73       0.47     2.01     16
  15       C    -0.08    -0.03     6.42      31.78       0.20     0.18     16
  16       C    -0.16    -1.66     2.94      -9.48      -0.03    -1.68     16
  17       C     0.41     2.05     8.98      71.98       0.65     2.69     16
  18       O    -0.78   -28.14    17.78    -127.47      -2.27   -30.40     16
  19       O    -0.77   -28.72    16.74    -127.47      -2.13   -30.86     16
  20       C     0.10     2.53     6.37      86.78       0.55     3.08     16
  21       H     0.14     5.93     8.06      -2.91      -0.02     5.91     16
  22       H     0.23     2.70     8.06      -2.91      -0.02     2.68     16
  23       H     0.10     1.38     7.41      -2.38      -0.02     1.37     16
  24       H     0.08     1.30     7.58      -2.39      -0.02     1.28     16
  25       H     0.14    -1.16     8.04      -2.39      -0.02    -1.18     16
  26       H     0.15    -1.10     8.14      -2.39      -0.02    -1.12     16
  27       H     0.12     1.99     7.65      -2.38      -0.02     1.97     16
  28       H     0.19    -0.53     7.97      -2.39      -0.02    -0.55     16
  29       H     0.22    -1.95     8.14      -2.39      -0.02    -1.97     16
  30       H     0.33    11.36     8.90     -74.06      -0.66    10.71     16
  31       H     0.32    11.91     8.90     -74.06      -0.66    11.25     16
  32       H     0.04     1.53     8.04      -2.39      -0.02     1.51     16
  33       H     0.10     2.09     7.90      -2.39      -0.02     2.07     16
 Total:         -1.00  -137.62   315.82                 -5.34  -142.96