VUI
  CCTOOLS-0410261002

 25 25  0  0  0  0  0  0  0  0999 V2000
    1.2980    0.8650    0.0050 C   0  0  0  0  0
   -0.0790    0.9030    0.1100 C   0  0  0  0  0
   -2.1530   -0.2440    0.3190 O   0  0  0  0  0
   -4.3350   -1.2600    0.5320 C   0  0  0  0  0
    1.2440   -1.5300    0.1010 C   0  0  0  0  0
    1.9590   -0.3500    0.0010 C   0  0  0  0  0
   -0.1320   -1.4960    0.2180 C   0  0  0  0  0
   -0.7980   -0.2790    0.2170 C   0  0  0  0  0
   -0.1550    3.2400    0.0160 O   0  5  0  0  0
   -2.8280   -1.4990    0.4260 C   0  0  0  0  0
    3.8440   -0.3980   -0.1430 BR  0  0  0  0  0
   -0.7870    2.2030    0.1090 N   0  3  0  0  0
   -2.0010    2.2350    0.2010 O   0  0  0  0  0
   -4.8110   -0.6770   -0.6830 O   0  0  0  0  0
   -6.2150   -0.4120   -0.6890 C   0  0  0  0  0
    1.8580    1.7850   -0.0780 H   0  0  0  0  0
   -4.8430   -2.2100    0.7020 H   0  0  0  0  0
   -4.5390   -0.5850    1.3630 H   0  0  0  0  0
    1.7630   -2.4770    0.1020 H   0  0  0  0  0
   -0.6890   -2.4170    0.3100 H   0  0  0  0  0
   -2.6160   -2.1020   -0.4580 H   0  0  0  0  0
   -2.4800   -2.0240    1.3160 H   0  0  0  0  0
   -6.4980    0.0300   -1.6450 H   0  0  0  0  0
   -6.7620   -1.3440   -0.5440 H   0  0  0  0  0
   -6.4580    0.2810    0.1170 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  2 12  1  0  0  0
  2  8  2  0  0  0
  4 17  1  0  0  0
  4 18  1  0  0  0
  5  7  2  0  0  0
  5 19  1  0  0  0
  6  1  2  0  0  0
  6  5  1  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  8  3  1  0  0  0
  9 12  1  0  0  0
 10  3  1  0  0  0
 10  4  1  0  0  0
 10 21  1  0  0  0
 10 22  1  0  0  0
 11  6  1  0  0  0
 12 13  2  0  0  0
 14  4  1  0  0  0
 14 15  1  0  0  0
 15 23  1  0  0  0
 15 24  1  0  0  0
 15 25  1  0  0  0
M  CHG  1   9  -1
M  CHG  1  12   1
M  END
$$$$
