REAL300019972900.mol2 34                                                        
   1       O    -0.53   -14.97    14.02      -3.82      -0.05   -15.02     16
   2       C     0.56     8.72     7.51      86.85       0.65     9.37     16
   3       N    -0.64    -7.23     5.28    -306.02      -1.62    -8.85     16
   4       C     0.16     3.46     6.27      38.14       0.24     3.70     16
   5       C    -0.09    -1.64     9.69      22.45       0.22    -1.43     16
   6       C    -0.07    -1.79     6.22      22.26       0.14    -1.65     16
   7       Br   -0.02    -0.50    33.69     -20.37      -0.69    -1.18     16
   8       C    -0.09    -3.11     9.43      22.51       0.21    -2.90     16
   9       C     0.02     1.06     5.87     -20.06      -0.12     0.94     16
  10       C     0.09     4.92     7.93     137.44       1.09     6.01     16
  11       N    -0.38   -23.21    12.15     -52.22      -0.63   -23.85     16
  12       N    -0.21   -13.45    13.46      37.02       0.50   -12.95     16
  13       N    -0.21   -13.30    13.45      37.02       0.50   -12.80     16
  14       N    -0.39   -23.17    12.15     -52.22      -0.63   -23.80     16
  15       C    -0.09    -3.30     8.30      22.61       0.19    -3.11     16
  16       C    -0.11    -0.81     5.88     -20.04      -0.12    -0.93     16
  17       C     0.00     0.00     9.53      22.50       0.21     0.22     16
  18       C    -0.10    -0.46     9.74      22.45       0.22    -0.24     16
  19       C     0.35     4.79     9.79      22.81       0.22     5.01     16
  20       O    -0.74   -23.84    17.23    -127.47      -2.20   -26.03     16
  21       O    -0.72   -21.46    17.23    -127.47      -2.20   -23.65     16
  22       C    -0.11    -1.13     9.74      22.45       0.22    -0.91     16
  23       C     0.00    -0.02     9.58      22.50       0.22     0.20     16
  24       H     0.44    -0.32     6.86     -92.71      -0.64    -0.96     16
  25       H     0.19     1.47     8.06      -2.91      -0.02     1.44     16
  26       H     0.12     4.79     7.88      -2.91      -0.02     4.77     16
  27       H     0.12     5.03     6.23      -2.91      -0.02     5.01     16
  28       H     0.22    -2.35     6.40      -2.91      -0.02    -2.37     16
  29       H     0.20     0.62     7.75      -2.91      -0.02     0.59     16
  30       H     0.33     9.32     8.90     -74.06      -0.66     8.66     16
  31       H     0.34     8.73     8.90     -74.05      -0.66     8.07     16
  32       H     0.18     2.13     7.75      -2.91      -0.02     2.11     16
  33       H     0.19     1.74     7.64      -2.91      -0.02     1.72     16
 Total:         -1.00   -99.28   330.52                 -5.53  -104.82