IBS-ZINC04306009 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.7010 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.1450 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.7110 -2.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -0.5020 -2.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -0.7160 -3.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.1650 -4.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -1.3730 -4.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -1.1320 -3.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -1.8200 -5.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -2.0350 -5.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -1.9090 -7.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -2.1340 -7.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -3.5330 -6.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -3.6600 -5.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -3.4350 -5.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -1.4160 -5.8520 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3570 -0.5210 -6.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -2.5180 -6.0610 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4330 -0.4960 -3.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -0.5230 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -0.0180 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -2.3120 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -2.3230 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -2.8280 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -1.9900 -6.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 -1.2890 -4.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -2.6550 -7.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -0.9120 -7.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -2.0440 -8.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -1.3880 -6.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -4.2790 -7.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5310 -3.6940 -6.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -4.6570 -4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -2.9140 -4.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -3.5250 -4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -4.1810 -5.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -0.1830 -2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -0.6540 -4.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END