PUBCHEM-ZINC05828657 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 35 0 0 0 0 0 0 0 0999 V2000 -0.9620 1.4790 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 0.0690 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 0.1480 -3.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 0.3200 -4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 1.0080 -5.0850 S 0 5 0 0 0 0 0 0 0 0 0 0 -0.0150 -1.9000 -2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -2.1370 -3.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -1.0240 -3.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 1.3990 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 1.2220 1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 0.5400 2.1170 S 0 5 0 0 0 0 0 0 0 0 0 0 -1.3050 3.4430 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 3.6750 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 2.5600 1.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 2.1950 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 1.5300 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 0.0200 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -0.6460 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -0.5520 -2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 1.1120 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -0.6410 -5.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 0.9770 -4.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -2.3970 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -2.2420 -3.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 0.4370 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 2.1020 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 0.5600 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 2.1810 2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 3.7840 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 3.9440 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -0.3820 -2.7680 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5630 -0.0760 -3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -3.3150 -3.6510 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4860 1.9270 -0.1730 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7650 1.6160 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 4.8530 0.7280 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 34 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 31 32 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 1 5 -1 M CHG 1 11 -1 M CHG 1 31 1 M CHG 1 33 -1 M CHG 1 34 1 M CHG 1 36 -1 M END