PUBCHEM-ZINC05644052 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -1.6860 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -2.2790 -1.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -2.2710 -0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -3.8580 -1.4980 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 -4.3800 -1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 -3.5890 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8860 -4.0020 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2590 -5.2010 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3160 -5.9900 -1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -5.5810 -2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -6.4240 -2.7000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3250 -7.4760 -3.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -6.0640 -2.7480 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.9400 -5.7240 -1.2590 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.4440 -5.0330 -0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6520 -5.0080 -2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9770 -5.5100 -3.8840 F 0 0 0 0 0 0 0 0 0 0 0 0 -11.0070 -5.3460 -2.8490 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.5200 -3.6160 -2.7280 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -2.4270 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -1.5840 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2780 -2.6530 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6250 -3.3880 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6110 -6.9260 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END