IBS-ZINC04026628 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0860 -1.2620 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -2.3360 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -1.7660 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -1.7900 -2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -1.2570 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -1.2450 -4.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -0.6970 -5.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -0.1070 -5.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 0.3860 -6.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -0.1400 -4.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -0.7060 -3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -0.6670 -2.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -1.1870 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 -1.1740 -0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 -0.4900 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 -0.4060 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 -0.8390 2.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1940 0.2420 1.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0900 0.5010 2.3670 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4830 0.6780 3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1160 -0.6240 2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5260 -1.9250 3.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4450 -3.0390 2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -4.2390 2.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 -4.3370 3.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 -3.2360 4.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 -2.0350 4.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9730 1.7440 2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0090 2.0460 0.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -1.8360 -4.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -0.4970 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -0.7630 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -1.7070 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -2.8530 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -3.1070 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -2.2300 -2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.6580 -6.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.2210 -2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 -1.0160 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 0.5450 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5570 0.6420 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6630 -0.8080 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8820 -0.3210 3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -2.9750 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8360 -5.0950 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -5.2690 4.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1360 -3.3080 5.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -1.1800 5.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -1.3170 -4.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -1.7570 -5.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -2.9000 -4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 2.2910 3.0470 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 13 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 37 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 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 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 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M CHG 1 52 -1 M END