REAL300009356169.mol2 31                                                        
   1       O    -0.72   -53.41    18.00      19.98       0.36   -53.06     16
   2       C     0.53    35.90     4.97      70.34       0.35    36.25     16
   3       O    -0.72   -53.59    17.79      22.00       0.39   -53.20     16
   4       C    -0.14    -6.79     5.76     -19.81      -0.11    -6.90     16
   5       C    -0.04    -1.67     9.70      22.76       0.22    -1.45     16
   6       C    -0.11    -2.94     6.25      22.46       0.14    -2.80     16
   7       Br    0.01     0.14    33.73     -20.37      -0.69    -0.54     16
   8       C     0.14     2.78    10.93      84.81       0.93     3.71     16
   9       N    -0.42   -10.84     6.89    -183.83      -1.27   -12.11     16
  10       C     0.09     3.70     6.75      42.31       0.29     3.99     16
  11       C     0.58    24.17     7.82      86.93       0.68    24.85     16
  12       O    -0.53   -29.93    14.48      12.36       0.18   -29.75     16
  13       N    -0.60   -15.80     3.32    -814.22      -2.71   -18.50     16
  14       C     0.12     1.50     5.41      86.73       0.47     1.97     16
  15       C    -0.16    -1.24     6.21      31.78       0.20    -1.05     16
  16       C     0.41     6.16     6.88      32.06       0.22     6.38     16
  17       O    -0.78   -29.74    17.32    -127.47      -2.21   -31.95     16
  18       O    -0.74   -23.24    17.19    -127.47      -2.19   -25.43     16
  19       C     0.06     1.41     6.35      86.93       0.55     1.96     16
  20       H     0.14     5.47     8.06      -2.91      -0.02     5.44     16
  21       H     0.23     2.01     8.06      -2.91      -0.02     1.99     16
  22       H     0.13     1.11     7.28      -2.38      -0.02     1.10     16
  23       H     0.11     1.37     7.69      -2.39      -0.02     1.35     16
  24       H     0.17     0.04     8.14      -2.39      -0.02     0.02     16
  25       H     0.13     1.37     8.14      -2.39      -0.02     1.35     16
  26       H     0.23     1.10     8.14      -2.39      -0.02     1.08     16
  27       H     0.33    11.22     8.90     -74.06      -0.66    10.56     16
  28       H     0.33     9.72     8.90     -74.06      -0.66     9.06     16
  29       H     0.10     2.84     8.14      -2.39      -0.02     2.82     16
  30       H     0.11     3.06     8.03      -2.39      -0.02     3.04     16
 Total:         -1.00  -114.12   295.24                 -5.70  -119.82