IBS-ZINC02402147 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.8870 -1.1290 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 0.1700 2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.4480 3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 1.5560 3.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 0.7730 3.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 1.0420 3.7900 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 2.2270 4.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 2.4410 4.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 3.4360 5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9350 4.0720 6.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 3.7610 6.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 2.8450 5.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3620 4.6420 7.5260 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 5.4500 8.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 6.2090 9.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 7.4370 9.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5480 5.3660 10.6430 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2700 5.7210 11.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 4.8090 12.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4610 5.4260 13.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4320 6.8030 13.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 7.3420 12.2140 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 3.8310 5.7490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -0.2330 2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -2.0670 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -0.8730 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -1.1850 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 0.2460 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -0.7230 3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 1.4480 4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 2.3270 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 4.7060 9.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 6.1590 8.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4800 4.3620 10.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9560 4.8170 14.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8770 7.4950 14.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 3.4560 5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 4.5490 6.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -1.2490 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 -0.1430 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -0.0300 1.5310 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3000 0.8400 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 41 1 M END