IBS-ZINC02223276 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 0 0 0 0 0999 V2000 0.1050 1.4230 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -0.0760 -0.0460 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1550 -0.3250 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -0.7940 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -1.4420 -0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -0.5180 1.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -0.2680 2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 0.3910 2.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -0.8460 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -1.0700 4.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -2.2270 4.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -3.1370 4.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -2.3210 6.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -3.4120 6.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 -3.4500 7.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -2.4030 8.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -1.3190 8.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -1.2680 6.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -0.1650 6.7470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -0.0830 5.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 1.6910 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 1.7550 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 1.9940 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -1.0650 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -1.7970 3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -0.1440 3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -4.2240 5.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1220 -4.2920 7.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -2.4270 9.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -0.5060 8.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.6580 -2.3620 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 31 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 20 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 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 1 0 0 0 0 19 20 2 0 0 0 0 M CHG 1 31 -1 M END