IBS-ZINC01836861 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.7640 -0.0940 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -0.4530 0.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -0.9500 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -1.0060 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -1.5370 1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -2.0060 3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -1.9440 3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -1.4210 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -2.4200 4.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -2.1950 5.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -2.5310 4.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -1.7990 5.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -0.3390 5.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 0.3690 4.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 0.0650 6.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -0.9390 6.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -0.8500 8.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -2.5000 6.2360 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 1.4500 6.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 1.8330 8.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 3.1820 8.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0600 4.1690 7.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 3.8270 6.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 2.4620 5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 4.9010 5.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 4.5130 3.8180 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3180 -0.9470 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 0.2140 -1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 0.7570 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.6290 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -1.5610 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.3630 2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -1.1280 5.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -2.7680 4.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -2.5510 6.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -3.6070 4.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 1.1000 8.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0830 3.4640 9.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 5.2170 7.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 2.2050 4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 6.1070 5.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 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 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 2 0 0 0 0 M CHG 1 26 -1 M END