PUBCHEM-ZINC06761044 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 1 0 0 0 0 0999 V2000 -0.0830 1.5840 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 0.0560 0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2320 -0.3130 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -0.5090 1.1240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8950 -1.5960 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 0.1670 1.1190 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7710 -0.1490 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 1.5810 1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 2.0910 -0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8560 1.7230 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 3.6360 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 4.2940 0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -0.2250 2.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.2820 2.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -0.1940 3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -0.4030 0.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -0.3520 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 1.9620 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.9500 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 0.3040 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 4.0630 -0.3550 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 M CHG 1 21 -1 M END