IBS-ZINC04860569 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 -1.6850 2.4720 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 1.0860 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 0.7720 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -0.4980 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -1.4550 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -1.1420 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 0.1280 -1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -2.1850 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -2.9540 -2.9200 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9130 -3.3660 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -2.0060 -3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -1.5980 -4.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -2.1680 -5.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -4.0760 -3.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -4.1240 -4.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -5.0250 -4.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -6.0510 -5.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -6.7200 -5.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -7.7320 -6.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -8.0800 -6.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -7.4160 -5.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -6.4000 -5.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -9.1660 -7.6550 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9000 -9.7520 -8.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -9.4740 -7.7060 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7950 3.1020 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 2.4180 -2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 2.8960 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 1.5200 1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -0.7430 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -2.4480 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 0.3720 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -1.6990 -3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -2.8770 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -2.5120 -3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -1.1200 -3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -4.9980 -3.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -6.4490 -5.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -8.2530 -7.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -7.6910 -6.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -5.8780 -4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -0.6020 -5.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -0.3760 -6.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 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 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END