IBS-ZINC04090688 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 2.8630 1.5350 2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 1.0980 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -0.2320 0.9860 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0240 -0.9990 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.6430 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -0.2520 2.0780 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6200 -0.9580 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.6860 3.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 0.1670 4.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -2.0400 3.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -3.1330 2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -4.3000 3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -4.0750 4.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -2.5480 4.9970 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3200 -2.1750 5.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -2.2220 6.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -1.9700 6.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 1.0360 2.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 1.5020 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 0.8910 0.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 2.6770 2.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 3.0950 3.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 4.0450 4.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 4.2860 5.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 4.7140 3.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 4.5070 1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 3.5060 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 3.3750 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 4.1910 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 5.1600 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 5.3200 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 0.7140 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 2.3510 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 1.9130 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 1.9040 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 0.9820 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -0.7980 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -1.5820 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 0.1240 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -3.3140 2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -2.9100 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -5.2700 3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -4.2410 2.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -4.5150 5.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -4.5500 5.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 1.5760 3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 2.2010 4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 3.5760 3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 5.3940 3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 2.6540 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 4.0650 -1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 5.7910 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 6.0840 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -2.2960 7.3430 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 54 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 M CHG 1 54 -1 M END