IBS-ZINC05025201 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 0 0 0 0 0 0999 V2000 -0.0960 1.8000 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 0.2770 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -0.3590 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -0.6560 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -1.3510 -2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -1.5780 -3.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 -1.7500 -2.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -1.5770 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8400 -1.9800 -1.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 -0.8940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -0.3300 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 0.3960 0.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0410 -0.7130 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 0.5960 1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 0.8320 2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 -0.2360 3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5350 -1.5410 2.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6400 -1.8010 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3590 -3.2420 1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -0.6490 -2.1750 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -0.4360 -2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -0.7600 -3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -0.4940 -3.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 -0.0320 -5.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 -0.2420 -7.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9290 -1.6350 -7.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 -2.2690 -7.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -2.1650 -5.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 2.2110 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 2.1610 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 2.2090 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.0670 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.0750 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -2.2320 -2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 1.4510 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3860 1.8510 2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4940 -0.0560 4.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0190 -2.3660 3.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1100 -3.6270 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 -3.8570 2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 -3.3710 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.0780 -2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -1.0750 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 0.6070 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -0.1460 -4.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -1.8060 -3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -1.1480 -3.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 0.5490 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 1.0330 -5.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 -0.4990 -4.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8450 0.1880 -7.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1650 0.2520 -7.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -3.3220 -7.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 -1.8230 -7.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -2.6530 -5.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -2.5950 -5.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 -0.6980 -5.3220 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3830 -0.2290 -5.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 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 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END