NCID-ZINC01575457
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  1  0  0  0  0  0999 V2000
   -0.1230    1.5060   -0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    0.0280   -0.0210 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7390   -0.3550   -0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8910   -0.2890    1.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8490    0.4460    2.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950   -1.4720    1.2490 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3710   -2.0230    2.3750 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7070   -2.0610    3.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -1.1770    2.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3450   -0.8660    1.5190 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900   -0.8210    0.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8490   -3.4650    2.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6300   -3.8230    0.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5100   -0.9610    0.0300 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8060    2.0860   -0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510    1.7010   -1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7440    1.8930    0.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5980   -2.0930    0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3010   -0.2240    3.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2760   -1.6710    3.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540   -4.1040    3.0270 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
M  CHG  1  21  -1
M  END