REAL300009850748.mol2 35                                                        
   1       O    -0.71   -48.49    17.23      17.90       0.31   -48.18     16
   2       C     0.50    32.34     8.01      70.35       0.56    32.91     16
   3       O    -0.72   -51.25    17.23      17.92       0.31   -50.94     16
   4       C    -0.14    -6.90     5.87     -20.07      -0.12    -7.02     16
   5       C    -0.06    -2.38     9.58      22.52       0.22    -2.16     16
   6       C    -0.07    -1.79     8.41      22.49       0.19    -1.60     16
   7       C    -0.10    -3.20     5.36     -20.02      -0.11    -3.30     16
   8       C     0.58    16.38     6.89      86.84       0.60    16.98     16
   9       O    -0.55   -19.96    15.57      -3.82      -0.06   -20.02     16
  10       N    -0.61   -10.45     3.33    -815.42      -2.71   -13.16     16
  11       C     0.08     0.48     5.95      86.73       0.52     0.99     16
  12       C    -0.08     0.45     6.42      31.79       0.20     0.66     16
  13       C    -0.16    -0.39     2.62      -9.48      -0.02    -0.42     16
  14       C     0.41    -0.63     9.13      71.98       0.66     0.03     16
  15       O    -0.75   -22.46    15.65    -127.47      -1.99   -24.46     16
  16       O    -0.79   -23.59    17.78    -127.47      -2.27   -25.85     16
  17       C     0.11     1.43     6.09      86.78       0.53     1.96     16
  18       C    -0.07    -2.61     6.24      22.54       0.14    -2.47     16
  19       Br   -0.03    -1.23    31.43     -20.37      -0.64    -1.87     16
  20       C    -0.07    -2.92     9.32      22.54       0.21    -2.71     16
  21       H     0.15     5.23     7.63      -2.91      -0.02     5.21     16
  22       H     0.19     2.73     6.33      -2.91      -0.02     2.71     16
  23       H     0.11     0.34     5.84      -2.39      -0.01     0.33     16
  24       H     0.07     0.68     8.14      -2.38      -0.02     0.67     16
  25       H     0.14    -2.04     8.04      -2.39      -0.02    -2.06     16
  26       H     0.14    -1.52     8.14      -2.39      -0.02    -1.54     16
  27       H     0.12     0.97     7.93      -2.39      -0.02     0.95     16
  28       H     0.19    -1.99     7.97      -2.38      -0.02    -2.01     16
  29       H     0.21    -2.59     8.14      -2.39      -0.02    -2.61     16
  30       H     0.32     9.60     8.90     -74.06      -0.66     8.94     16
  31       H     0.32     9.34     8.90     -74.06      -0.66     8.68     16
  32       H     0.06     1.40     7.23      -2.39      -0.02     1.38     16
  33       H     0.10     0.86     7.90      -2.38      -0.02     0.84     16
  34       H     0.12     5.92     7.63      -2.91      -0.02     5.90     16
 Total:         -1.00  -118.22   316.87                 -5.03  -123.25