8TG
  CCTOOLS-0919241035

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.7700   -0.8230    0.0030 N   0  0  0  0  0
    2.6990    1.9760    0.0030 C   0  0  0  0  0
    1.4590    1.1980    0.0030 C   0  0  0  0  0
    0.2100    1.8270    0.0010 C   0  0  0  0  0
   -0.9290    1.0730   -0.0000 C   0  0  0  0  0
   -0.8570   -0.3150    0.0010 C   0  0  0  0  0
    1.5360   -0.2080    0.0030 C   0  0  0  0  0
    2.8480   -2.2860    0.0030 C   0  0  0  0  0
    3.9030   -0.0990   -0.0020 C   0  0  0  0  0
    3.8810    1.3120   -0.0020 C   0  0  0  0  0
    0.3640   -0.9560    0.0020 C   0  0  0  0  0
   -2.4500   -1.3340   -0.0010 BR  0  0  0  0  0
   -2.2510    1.7390   -0.0010 N   0  3  0  0  0
   -2.3200    2.9550   -0.0020 O   0  5  0  0  0
   -3.2690    1.0710    0.0000 O   0  0  0  0  0
    4.9770   -0.6760   -0.0060 O   0  0  0  0  0
    2.6730    3.0560    0.0020 H   0  0  0  0  0
    0.1460    2.9050    0.0020 H   0  0  0  0  0
    3.8930   -2.5940   -0.0020 H   0  0  0  0  0
    2.3580   -2.6760    0.8950 H   0  0  0  0  0
    2.3500   -2.6760   -0.8850 H   0  0  0  0  0
    4.8090    1.8650   -0.0020 H   0  0  0  0  0
    0.4100   -2.0350    0.0020 H   0  0  0  0  0
  1  8  1  0  0  0
  1  9  1  0  0  0
  2 10  2  0  0  0
  2 17  1  0  0  0
  3  7  1  0  0  0
  3  2  1  0  0  0
  4  3  2  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5  4  1  0  0  0
  6 11  1  0  0  0
  7  1  1  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 16  2  0  0  0
 10  9  1  0  0  0
 10 22  1  0  0  0
 11  7  2  0  0  0
 11 23  1  0  0  0
 12  6  1  0  0  0
 13  5  1  0  0  0
 14 13  1  0  0  0
 15 13  2  0  0  0
M  CHG  1  13   1
M  CHG  1  14  -1
M  END
$$$$