IBS-ZINC00548935 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 1.1960 -0.5250 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.1680 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 1.0830 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 2.0060 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 1.6290 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 0.3670 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 2.4990 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 2.1580 0.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 3.0070 0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4440 3.3310 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3080 4.1960 0.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9940 4.4160 -0.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 3.6780 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3420 3.4520 -2.6120 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5210 2.8070 2.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7460 2.8460 3.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8510 2.3570 4.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7140 1.8420 5.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5120 1.7910 4.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4430 2.2760 3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 3.3490 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 4.3600 -0.7810 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3210 -1.4970 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -0.8580 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 1.3560 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 0.0610 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 3.4530 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8800 4.1520 -3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6330 3.2550 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7960 2.3810 4.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 1.4480 6.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 2.2270 2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 3.3620 -2.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 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 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 2 0 0 0 0 M CHG 1 22 -1 M END