REAL300009850837.mol2 34                                                        
   1       O    -0.71   -49.06    17.33      17.88       0.31   -48.75     16
   2       C     0.51    31.82     7.98      70.33       0.56    32.39     16
   3       O    -0.68   -43.91    14.65      24.12       0.35   -43.56     16
   4       C    -0.18    -9.22     5.91     -19.81      -0.12    -9.34     16
   5       C    -0.02    -0.73     9.47      22.76       0.22    -0.51     16
   6       C    -0.14    -4.46     6.25      22.46       0.14    -4.32     16
   7       Br    0.00     0.09    33.73     -20.37      -0.69    -0.60     16
   8       C     0.15     4.23    10.93      84.81       0.93     5.16     16
   9       N    -0.45   -15.74    10.26    -183.81      -1.89   -17.63     16
  10       C     0.11     4.90     4.51      42.32       0.19     5.09     16
  11       C     0.62    25.56     5.22      86.93       0.45    26.01     16
  12       O    -0.52   -25.23    15.54      15.61       0.24   -24.99     16
  13       N    -0.59   -17.13     2.97    -821.74      -2.44   -19.57     16
  14       C     0.09     1.56     6.44      86.36       0.56     2.12     16
  15       C    -0.10    -1.29     6.08      30.67       0.19    -1.11     16
  16       C    -0.16    -2.02     4.84      30.62       0.15    -1.88     16
  17       C     0.34     8.99     5.69      30.68       0.17     9.16     16
  18       O    -0.72   -34.44    17.78    -127.47      -2.27   -36.71     16
  19       O    -0.74   -28.25    17.65    -127.47      -2.25   -30.50     16
  20       C     0.08     2.02     6.32      86.36       0.55     2.56     16
  21       H     0.15     6.37     7.74      -2.91      -0.02     6.34     16
  22       H     0.22     4.11     8.06      -2.91      -0.02     4.09     16
  23       H     0.10     2.27     7.00      -2.38      -0.02     2.25     16
  24       H     0.13     1.16     8.14      -2.39      -0.02     1.14     16
  25       H     0.06     1.27     8.14      -2.38      -0.02     1.25     16
  26       H     0.17     0.47     8.14      -2.39      -0.02     0.45     16
  27       H     0.13     1.42     8.14      -2.39      -0.02     1.40     16
  28       H     0.15     0.91     6.83      -2.39      -0.02     0.89     16
  29       H     0.13     4.10     8.14      -2.39      -0.02     4.08     16
  30       H     0.33    14.80     9.20     -74.06      -0.68    14.12     16
  31       H     0.32     8.23     7.00     -74.06      -0.52     7.71     16
  32       H     0.15     2.83     8.14      -2.39      -0.02     2.81     16
  33       H     0.08     2.71     6.37      -2.39      -0.02     2.69     16
 Total:         -1.00  -101.68   310.62                 -6.05  -107.74