IBS-ZINC00529872 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.3400 1.6410 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 0.1490 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -0.4910 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -1.8690 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -2.5620 0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -1.8610 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -0.5200 -1.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -2.6410 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -2.9400 -2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -2.1870 -4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 -2.4660 -4.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 -3.4930 -4.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 -4.2390 -3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -3.9640 -2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -2.6260 2.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -2.1350 3.7270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7210 -1.2360 3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -3.2130 4.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -3.5550 4.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -2.3550 4.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 -4.7020 5.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -1.7690 4.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -2.7230 4.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 2.1080 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 1.9860 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 1.9730 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 0.0780 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -2.0870 -3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -3.5860 -2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -1.3750 -4.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -1.8780 -5.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 -3.7060 -4.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 -5.0310 -2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -4.5490 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -3.6250 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -2.8890 5.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -4.1390 4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -3.9020 3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -1.5760 3.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 -1.9160 5.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -2.6530 4.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -5.5870 4.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 -4.9880 4.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -4.4180 6.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -0.5300 4.2870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 M CHG 1 45 -1 M END