PUBCHEM-ZINC05161275 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.6420 -1.9560 1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -1.6100 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -0.9820 1.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -2.1100 -0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -1.7740 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -2.4400 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -1.7410 -3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.3840 -4.7880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -3.7390 -5.0970 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5550 -3.8240 -5.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -3.6310 -6.3520 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3930 -4.1620 -6.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.1110 -5.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -1.1080 -6.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -3.9030 -7.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -3.7670 -8.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -3.4600 -8.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -3.9040 -9.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -4.2160 -9.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -4.5420 -8.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -4.0960 -11.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -5.4920 -12.3180 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -4.8200 -3.7670 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -3.9570 -2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.1950 -3.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 0.2040 -2.9360 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5830 -1.5430 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -3.0420 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -1.5210 2.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -0.6850 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -2.1540 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -4.2060 -7.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -3.7680 -10.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -3.3250 -9.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -3.1750 -11.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -4.0770 -11.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -4.2630 -2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -4.3270 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 0.4570 -4.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 23 24 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 2 0 0 0 0 M CHG 1 26 -1 M END