IBS-ZINC01889463 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 0 0 0 0 0999 V2000 0.1430 0.6410 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -0.4980 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 -0.3180 -0.8180 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 1.2430 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 1.6380 0.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 1.8920 -0.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 3.1700 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 3.8780 0.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 3.6110 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2560 5.0900 0.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8050 5.4300 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 5.3350 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4440 4.8210 0.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 6.1560 -0.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 6.6940 -1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4700 7.4490 -2.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 6.1410 -1.3270 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6190 6.4350 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2730 5.3840 -1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7660 5.6240 -2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2590 6.6030 -1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 0.7990 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -1.3960 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 1.3910 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.9920 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2120 3.3570 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7360 7.4320 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0870 6.4490 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1380 4.3860 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7960 5.3720 -2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3330 4.7980 -2.8960 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 M CHG 1 31 -1 M END