IBS-ZINC02287706 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.2950 1.4870 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -0.0020 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -0.5260 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -0.8690 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -0.9640 1.5620 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -1.8820 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -2.4320 0.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -3.1060 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 -3.2530 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8680 -4.0090 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6890 -4.4210 -0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2150 -3.8890 -1.3660 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.6700 -5.2180 -1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2420 -4.8360 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1020 -4.3750 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8310 -6.4840 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4980 -2.6450 2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3220 -2.7260 3.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 -1.9630 2.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -1.3480 3.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 0.0740 3.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 0.7010 5.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 1.4310 5.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 1.9940 6.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 1.8300 7.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 1.0980 7.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 0.5340 6.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 2.0400 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 1.7990 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 1.7880 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -1.6000 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 0.1020 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -0.4530 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -1.8820 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2010 -4.5780 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1910 -6.0490 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0280 -5.3320 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6740 -3.9990 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8510 -5.1820 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4550 -3.5230 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3850 -7.2140 -2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3690 -5.7090 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4920 -6.9900 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 -1.9660 4.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -1.3540 3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 0.7060 3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 0.0650 3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 1.5650 4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 2.5610 6.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 2.2690 8.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7010 0.9660 8.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1410 -0.0370 6.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7230 -5.8380 -0.5790 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.2480 -6.5870 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 17 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 13 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 53 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 53 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END