REAL300009850763.mol2 37                                                        
   1       O    -0.72   -52.18    17.33      17.90       0.31   -51.87     16
   2       C     0.50    34.21     7.98      70.33       0.56    34.77     16
   3       O    -0.68   -49.75    14.83      23.66       0.35   -49.40     16
   4       C    -0.19    -9.87     5.91     -19.81      -0.12    -9.98     16
   5       C    -0.01    -0.55     9.47      22.76       0.22    -0.34     16
   6       C    -0.14    -4.43     6.25      22.46       0.14    -4.29     16
   7       Br    0.01     0.13    33.73     -20.37      -0.69    -0.55     16
   8       C     0.15     4.31    10.93      84.81       0.93     5.23     16
   9       N    -0.46   -17.00    10.27    -183.81      -1.89   -18.89     16
  10       C     0.13     6.21     4.51      42.32       0.19     6.40     16
  11       C     0.60    30.31     5.07      86.93       0.44    30.76     16
  12       O    -0.57   -35.28    15.81      13.88       0.22   -35.06     16
  13       N    -0.60   -22.05     2.98    -822.62      -2.45   -24.50     16
  14       C     0.10     2.59     6.33      86.36       0.55     3.14     16
  15       C    -0.13    -2.43     6.08      30.67       0.19    -2.24     16
  16       C    -0.08    -0.64     5.17      30.62       0.16    -0.48     16
  17       C    -0.17    -3.42     2.03     -10.86      -0.02    -3.44     16
  18       C     0.41     5.02     9.01      71.98       0.65     5.67     16
  19       O    -0.73   -35.75    14.58    -127.47      -1.86   -37.60     16
  20       O    -0.81   -33.09    17.78    -127.47      -2.27   -35.36     16
  21       C     0.10     3.19     5.52      86.22       0.48     3.67     16
  22       H     0.15     6.38     7.74      -2.91      -0.02     6.36     16
  23       H     0.22     4.01     8.06      -2.91      -0.02     3.99     16
  24       H     0.12     1.83     8.14      -2.39      -0.02     1.81     16
  25       H     0.05     1.55     6.37      -2.39      -0.02     1.54     16
  26       H     0.13     1.30     8.14      -2.39      -0.02     1.28     16
  27       H     0.03     0.87     8.14      -2.39      -0.02     0.85     16
  28       H     0.14    -0.32     8.14      -2.38      -0.02    -0.34     16
  29       H     0.12     0.12     8.14      -2.39      -0.02     0.10     16
  30       H     0.07     2.60     8.03      -2.39      -0.02     2.58     16
  31       H     0.21    -0.14     8.14      -2.39      -0.02    -0.16     16
  32       H     0.20     0.19     8.14      -2.39      -0.02     0.17     16
  33       H     0.32    15.28     8.90     -74.06      -0.66    14.62     16
  34       H     0.32    12.94     8.90     -74.06      -0.66    12.28     16
  35       H     0.07     3.17     4.78      -2.39      -0.01     3.16     16
  36       H     0.12     2.22     8.14      -2.39      -0.02     2.20     16
 Total:         -1.00  -128.46   329.50                 -5.48  -133.94