REAL300018054990.mol2 37                                                        
   1       O    -0.73   -37.79    17.24      17.81       0.31   -37.48     16
   2       C     0.48    20.88     8.01      70.28       0.56    21.45     16
   3       O    -0.73   -36.63    17.24      17.82       0.31   -36.32     16
   4       C    -0.15    -3.04     5.87     -20.11      -0.12    -3.15     16
   5       C    -0.09    -0.47     9.60      22.56       0.22    -0.25     16
   6       C    -0.06     1.09     9.65      22.23       0.21     1.31     16
   7       C    -0.10     2.46     5.36     -19.78      -0.11     2.36     16
   8       C     0.06    -2.65     4.90      85.56       0.42    -2.23     16
   9       N    -0.51    27.98     1.74    -521.97      -0.91    27.08     16
  10       H     0.45   -26.40     8.66     -89.69      -0.78   -27.18     16
  11       H     0.42   -21.51     7.47     -89.70      -0.67   -22.18     16
  12       C     0.05    -3.12     5.50      85.56       0.47    -2.65     16
  13       C    -0.11     5.28     5.36     -19.80      -0.11     5.18     16
  14       C    -0.02     0.85     9.68      22.24       0.22     1.06     16
  15       C    -0.13     2.83     9.75      22.48       0.22     3.05     16
  16       C     0.33    -4.24     9.79      22.82       0.22    -4.01     16
  17       O    -0.75   -10.47    17.25    -127.47      -2.20   -12.67     16
  18       O    -0.75   -11.10    17.25    -127.47      -2.20   -13.30     16
  19       C    -0.12     2.96     9.75      22.49       0.22     3.18     16
  20       C    -0.01     0.41     9.68      22.24       0.22     0.63     16
  21       C    -0.08     0.97     6.21      22.27       0.14     1.11     16
  22       Br   -0.01     0.25    30.88     -20.37      -0.63    -0.38     16
  23       C    -0.08    -0.72     9.33      22.57       0.21    -0.51     16
  24       H     0.11     1.27     7.65      -2.91      -0.02     1.25     16
  25       H     0.21    -6.63     8.03      -2.91      -0.02    -6.66     16
  26       H     0.16    -7.67     7.13      -2.39      -0.02    -7.69     16
  27       H     0.21   -12.04     7.99      -2.39      -0.02   -12.06     16
  28       H     0.18   -11.40     8.08      -2.39      -0.02   -11.42     16
  29       H     0.21   -13.66     8.08      -2.39      -0.02   -13.68     16
  30       H     0.22   -10.38     8.06      -2.91      -0.02   -10.40     16
  31       H     0.16    -2.75     7.77      -2.91      -0.02    -2.78     16
  32       H     0.33     4.09     8.90     -74.06      -0.66     3.43     16
  33       H     0.33     4.27     8.90     -74.06      -0.66     3.61     16
  34       H     0.17    -3.23     7.77      -2.91      -0.02    -3.26     16
  35       H     0.24   -12.31     8.06      -2.91      -0.02   -12.34     16
  36       H     0.10     1.80     7.65      -2.91      -0.02     1.78     16
 Total:          0.00  -160.82   340.26                 -5.32  -166.15