NCID-ZINC01587305
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.0310    1.3650   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0160   -0.0300   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080   -0.7010   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4130    0.0020   -0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3920    1.3970   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    2.0920   -0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1510    3.5900    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1590    4.1920    1.8640 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2320   -2.5050   -0.1040 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4740   -2.8230    0.5950 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0120   -2.8560    0.6180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9880    1.8810    0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9480   -0.5890   -0.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3610   -0.5310   -0.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3350    1.9390   -0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0290    4.0240   -0.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2530    4.0010   -0.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   -2.7900   -1.5360 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 18  1  0  0  0  0
M  CHG  1  18  -1
M  END