PUBCHEM-ZINC01895784 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.3800 1.0420 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -0.3330 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -1.1510 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -2.3080 0.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -3.4520 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -4.4640 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -4.2440 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -3.1820 -1.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -2.1710 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -0.9840 -1.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -0.7880 2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -1.6270 3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -0.8300 5.0530 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 0.6020 4.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 0.4680 3.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 1.7480 4.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 2.2180 6.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 3.0750 6.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 3.5610 8.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 3.1920 8.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 2.3380 8.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 1.8570 6.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 3.8010 10.5560 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 2.7330 11.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 3.9160 11.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 5.1850 10.4070 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.7850 4.9650 10.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 1.7610 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 1.3270 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 1.1170 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 -3.4850 2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -5.3860 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -5.0810 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -2.6370 3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 2.3970 4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 3.3640 6.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 4.2180 8.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 2.0520 8.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 1.2270 6.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 26 -1 M END