PUBCHEM-ZINC05118767 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -6.6320 -1.6310 6.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 -0.6940 8.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 0.3410 6.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8840 1.7640 6.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 2.5410 5.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 3.9250 5.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 4.4090 6.3160 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9090 4.2030 5.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 5.9090 6.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 6.1900 6.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 4.9030 5.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0480 4.8020 5.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 7.2400 6.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 6.8540 6.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 8.1910 6.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 6.5290 7.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 6.3780 8.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 6.0210 8.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 5.9400 6.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 6.3010 5.6810 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 3.7270 7.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 3.9410 8.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 3.3070 9.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 2.4450 10.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 2.2190 8.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 2.8520 7.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 1.3030 8.8060 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7280 0.7740 9.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 1.1010 7.7270 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.2570 -2.0790 7.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8360 -2.3150 6.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2530 -1.3430 5.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 -1.2900 8.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 -1.2480 9.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 0.2460 8.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7910 0.3570 5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 -0.2420 5.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8150 2.2800 6.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 1.7500 7.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 2.0720 5.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 2.5480 4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 8.6890 7.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 6.4960 9.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 5.8380 8.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 5.6940 6.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 4.6060 8.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 3.4920 10.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 1.9660 10.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 2.6780 6.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0030 -0.3850 7.1420 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.7800 0.2360 7.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 50 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 50 1 M END