PUBCHEM-ZINC05118767 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 1.2600 1.4300 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.3800 3.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 3.2890 1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 3.6440 2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 5.1580 2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 5.4980 3.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 5.8100 5.0520 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4570 6.6840 5.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 6.1050 5.6340 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4320 5.9360 4.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 5.5690 3.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 5.3610 2.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6320 6.0740 4.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 5.1210 6.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 4.1140 6.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 5.3710 8.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 4.5560 9.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 5.0430 10.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 6.2140 10.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 6.7740 8.5890 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 4.6300 5.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 3.3580 5.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 2.2770 6.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 2.4670 7.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 3.7380 7.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 4.8190 6.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 3.9410 8.1920 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7840 2.9880 8.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 5.0620 8.3790 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3990 0.3490 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 1.9230 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 1.7180 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 1.8170 3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 0.2930 3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 1.6930 3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 3.6130 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 3.7900 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 3.1430 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 3.3190 3.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 5.6590 3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 5.4830 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 7.1250 6.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 3.6250 9.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 4.5200 11.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 6.7320 11.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 3.2100 4.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 1.2830 6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 1.6220 7.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 5.8120 6.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 1.8350 1.7540 N 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 1 0 0 0 0 9 42 1 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 2 0 0 0 0 14 16 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 M CHG 1 27 1 M CHG 1 29 -1 M END