IBS-ZINC01246798 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.0070 1.1070 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -0.3840 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -0.6570 1.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -0.6900 2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -0.9710 3.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -1.1120 2.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -0.9360 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -1.0380 -0.0680 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.4340 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8190 -1.5720 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 -1.4180 -1.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -1.8670 0.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1210 -1.9960 -0.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 -2.2800 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5340 -2.4710 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4310 -2.4140 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3670 -2.2680 -2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6680 -2.4820 -2.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4560 -2.7450 -1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7070 -2.6990 -0.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -0.4560 2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -0.8970 4.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 -0.6740 4.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -0.0150 3.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 0.4250 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 0.2140 2.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 0.2240 4.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 1.3850 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 1.3100 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 1.6880 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -0.6620 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -0.9650 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 -0.6340 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 -2.3710 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1940 -1.9900 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3850 -3.5190 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5510 -2.1750 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8260 -1.8560 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4890 -2.0340 -2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9780 -2.4420 -3.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5140 -2.9550 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -1.4120 4.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 -1.0150 5.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 0.9380 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 0.5610 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 1.1800 4.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 0.2400 3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -0.5760 4.7370 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 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 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 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 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 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END