IBS-ZINC03881654 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -1.1500 -0.0250 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -1.1260 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -1.1050 2.1550 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9030 -1.8400 2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -1.5530 1.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 -0.9870 0.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9570 -0.0070 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -0.9550 -0.5400 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 0.3390 -1.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -2.1600 -1.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -2.2040 -0.1610 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4490 -1.9180 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 -2.5110 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 -3.3220 2.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -3.2290 -1.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -4.2240 -1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 -4.3430 -1.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -5.1700 -2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -4.5850 -3.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -4.5980 -4.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 -4.0280 -6.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -3.4370 -6.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -3.4120 -5.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -3.9810 -4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 0.2810 2.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 1.1370 2.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -2.4950 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 0.9780 1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -0.1190 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -0.0830 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -3.1890 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 -6.1090 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -5.4300 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 -5.0450 -4.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -4.0400 -6.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -2.9910 -7.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -2.9420 -5.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -3.9400 -3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -2.5750 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -3.3210 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -2.6460 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 0.3930 3.9690 O 0 5 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 8 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 M CHG 1 42 -1 M END