IBS-ZINC04306236 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 49 0 0 0 0 0 0 0 0999 V2000 0.2020 -1.3730 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -1.8030 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -0.7820 2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -0.4060 2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 -0.3120 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 1.1850 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 1.5510 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2040 2.9790 1.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3950 3.6330 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 2.9680 0.6730 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 3.6810 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6610 5.0640 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4640 5.6930 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 4.9650 1.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3570 7.0680 1.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 7.7130 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2080 9.2210 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 9.5000 -0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 8.8160 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8890 5.8290 0.4210 N 0 3 0 0 0 0 0 0 0 0 0 0 9.8490 5.2670 -0.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9140 7.0070 0.8140 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7600 2.9320 0.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -1.0000 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -2.2240 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -0.5860 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -2.1840 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -2.5790 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -0.1150 3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -1.8170 2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -0.4890 3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 0.6270 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 -1.0580 2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -0.6220 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -0.9200 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 1.7450 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 1.5120 2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.0360 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 1.2230 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 3.5910 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2210 7.6140 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 7.3250 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 7.5160 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 9.7280 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9850 9.6430 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6730 1.9280 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6450 3.3840 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -0.6130 1.2170 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3300 0.2090 0.8570 H 0 0 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 27 1 0 0 0 0 2 28 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 48 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 48 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 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 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 48 1 M END