REAL300009850734.mol2 37                                                        
   1       O    -0.71   -47.81    17.33      17.91       0.31   -47.50     16
   2       C     0.51    30.95     7.98      70.33       0.56    31.51     16
   3       O    -0.68   -43.43    14.85      23.57       0.35   -43.08     16
   4       C    -0.18    -8.50     5.91     -19.81      -0.12    -8.62     16
   5       C    -0.01    -0.49     9.47      22.76       0.22    -0.27     16
   6       C    -0.14    -3.96     6.25      22.46       0.14    -3.82     16
   7       Br    0.00     0.04    33.73     -20.37      -0.69    -0.65     16
   8       C     0.15     3.83    10.93      84.81       0.93     4.76     16
   9       N    -0.46   -15.03     9.24    -183.82      -1.70   -16.73     16
  10       C     0.13     5.13     4.93      42.31       0.21     5.34     16
  11       C     0.60    25.04     4.96      86.93       0.43    25.47     16
  12       O    -0.55   -27.93    15.92      13.57       0.22   -27.71     16
  13       N    -0.60   -16.78     2.24    -820.95      -1.84   -18.62     16
  14       C     0.09     1.61     5.94      86.49       0.51     2.12     16
  15       C    -0.10    -0.67     5.71      30.23       0.17    -0.50     16
  16       C    -0.16    -2.38     4.61      29.76       0.14    -2.24     16
  17       C     0.37     5.94     4.65      28.62       0.13     6.07     16
  18       O    -0.80   -31.65    17.84    -127.47      -2.27   -33.92     16
  19       O    -0.71   -28.88    16.84    -127.47      -2.15   -31.02     16
  20       C    -0.20    -4.02     5.74      29.41       0.17    -3.85     16
  21       C     0.16     3.20     5.35      87.39       0.47     3.67     16
  22       H     0.15     5.84     7.74      -2.91      -0.02     5.82     16
  23       H     0.21     3.60     8.06      -2.91      -0.02     3.57     16
  24       H     0.09     1.53     8.14      -2.39      -0.02     1.51     16
  25       H     0.08     1.70     5.61      -2.38      -0.01     1.69     16
  26       H     0.13    -0.17     7.32      -2.39      -0.02    -0.18     16
  27       H     0.14     0.29     8.14      -2.39      -0.02     0.27     16
  28       H     0.13     1.98     7.91      -2.39      -0.02     1.96     16
  29       H     0.08     1.74     7.48      -2.39      -0.02     1.72     16
  30       H     0.20     0.64     7.35      -2.38      -0.02     0.62     16
  31       H     0.31     8.83     9.01     -74.06      -0.67     8.17     16
  32       H     0.33    13.27     9.20     -74.06      -0.68    12.59     16
  33       H     0.07     2.16     8.14      -2.39      -0.02     2.15     16
  34       H     0.14     2.32     8.14      -2.39      -0.02     2.30     16
  35       H     0.15     1.28     8.06      -2.38      -0.02     1.26     16
  36       H     0.10     2.84     7.38      -2.39      -0.02     2.83     16
 Total:         -1.00  -107.92   328.09                 -5.40  -113.33