REAL300019840829.mol2 34                                                        
   1       O    -0.52   -13.13    13.76      -3.82      -0.05   -13.18     16
   2       C     0.57    13.29     7.62      86.85       0.66    13.95     16
   3       N    -0.65   -18.47     4.68    -305.36      -1.43   -19.90     16
   4       C     0.17     5.30     6.31      38.42       0.24     5.54     16
   5       C    -0.11    -2.79     8.69      22.37       0.19    -2.60     16
   6       C    -0.06    -1.42     9.77      22.30       0.22    -1.21     16
   7       C    -0.10    -2.83     6.22      22.30       0.14    -2.69     16
   8       Br   -0.04    -0.85    33.69     -20.37      -0.69    -1.53     16
   9       C    -0.06    -2.06     9.43      22.48       0.21    -1.84     16
  10       C    -0.01    -0.57     5.89     -19.93      -0.12    -0.69     16
  11       C     0.09     4.45     7.87     137.39       1.08     5.53     16
  12       N    -0.38   -18.13     9.75     -52.27      -0.51   -18.63     16
  13       N    -0.20   -10.65    13.45      37.02       0.50   -10.15     16
  14       N    -0.21   -11.98    13.45      37.02       0.50   -11.48     16
  15       N    -0.39   -20.95    12.15     -52.27      -0.64   -21.58     16
  16       C    -0.12    -2.05     5.88     -20.04      -0.12    -2.17     16
  17       C     0.01     0.17     9.58      22.50       0.22     0.38     16
  18       C    -0.10    -1.32     9.74      22.45       0.22    -1.10     16
  19       C     0.35     7.53     9.79      22.80       0.22     7.75     16
  20       O    -0.74   -27.55    17.23    -127.47      -2.20   -29.74     16
  21       O    -0.72   -25.09    17.23    -127.47      -2.20   -27.28     16
  22       C    -0.11    -2.02     9.74      22.45       0.22    -1.80     16
  23       C    -0.02    -0.35     9.53      22.50       0.21    -0.13     16
  24       H     0.42    12.63     4.54     -92.71      -0.42    12.21     16
  25       H     0.17     3.69     6.21      -2.91      -0.02     3.67     16
  26       H     0.17     2.71     8.06      -2.91      -0.02     2.69     16
  27       H     0.13     4.78     7.88      -2.91      -0.02     4.75     16
  28       H     0.21     1.39     7.64      -2.91      -0.02     1.37     16
  29       H     0.20     2.29     7.75      -2.91      -0.02     2.27     16
  30       H     0.34    10.85     8.90     -74.06      -0.66    10.19     16
  31       H     0.34    10.19     8.90     -74.06      -0.66     9.53     16
  32       H     0.18     3.68     7.75      -2.91      -0.02     3.66     16
  33       H     0.18     3.44     6.40      -2.91      -0.02     3.42     16
 Total:         -1.00   -75.80   325.48                 -5.00   -80.80