PUBCHEM-ZINC04654662 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 1 0 0 0 0 0999 V2000 0.0080 1.3840 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 1.2820 2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 2.0930 3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 2.5280 4.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 3.2590 5.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 3.5830 5.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 3.1550 5.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 2.4050 3.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 2.0260 3.3510 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3500 0.6390 3.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4310 0.4020 4.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4010 1.4610 5.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.4240 1.0810 4.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2670 2.7500 4.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 3.1410 4.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7680 4.0950 3.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 3.4050 5.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1730 1.7240 6.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 2.0770 1.7770 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0870 1.7510 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 1.0270 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 3.2600 1.3130 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2350 4.2820 7.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 4.7210 7.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 0.3170 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 1.9680 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 1.7380 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 1.4470 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 0.2120 2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 2.3000 4.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 3.5580 6.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -0.2000 3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 -0.6030 4.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7390 2.6250 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 3.5590 4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 2.2400 6.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 0.0290 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 0.9190 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 5.4180 7.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 5.2570 8.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 3.8730 8.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 1.5990 1.1190 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0560 2.6120 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 42 1 0 0 0 0 23 24 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 22 -1 M CHG 1 42 1 M END