IBS-ZINC04981083 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.2230 0.7180 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 0.1840 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -0.1350 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -0.6700 2.2800 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 -0.4990 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.0560 -0.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 -0.8420 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.0120 2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 0.7840 2.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.9420 4.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.5520 5.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -1.7790 6.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -1.7680 7.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -2.8510 5.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -2.4280 3.9190 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9490 -2.7920 3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -2.9390 3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -3.3620 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -3.8240 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 -3.8530 1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -3.4520 3.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -2.9910 3.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -4.2450 5.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -4.8670 5.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -6.3220 5.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 -7.0900 4.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -8.2080 6.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 0.7060 5.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 0.0830 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 0.7550 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 1.7330 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 -0.2200 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -0.6760 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6700 -1.8950 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -3.3330 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -4.1510 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 -4.2100 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.6620 4.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -4.8010 5.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -4.2900 6.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -4.2920 6.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 -4.7980 4.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -6.9470 5.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -6.3870 7.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -7.7240 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 -6.1060 3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3280 -7.5560 4.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 -8.0090 7.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -8.9340 6.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0190 -8.5550 6.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 0.6130 6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -6.9140 5.8370 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5270 -6.2530 6.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 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 11 28 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 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 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 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 52 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 52 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 52 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END