IBS-ZINC02390506 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 -0.3280 1.6340 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 0.2080 -0.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -0.4900 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 0.1980 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -0.4740 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 -1.8780 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -2.5800 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -1.8550 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -3.9150 -0.0720 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7020 -4.5720 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -3.8730 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 -2.5610 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2160 -4.6370 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5990 -4.7660 1.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7430 -5.4280 1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4020 -5.8850 0.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1960 -5.5980 3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3830 -6.2840 3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7620 -6.4150 4.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9650 -5.8700 5.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8510 -5.2280 5.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4440 -5.0820 4.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -6.0500 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -6.6370 1.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 -6.8140 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 -8.2060 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 -8.9130 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -8.2470 -3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -6.8690 -3.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 -6.1490 -2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -4.6250 -0.1350 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6700 2.0670 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 1.9430 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 1.9790 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 1.2780 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 0.0720 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -2.3750 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9950 -4.1020 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 -5.6290 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9870 -6.6990 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6720 -6.9380 5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2580 -5.9710 6.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5240 -4.5550 4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 -8.7260 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -9.9880 -2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 -8.8060 -4.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -6.3560 -4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -5.0730 -2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M CHG 1 9 1 M CHG 1 31 -1 M END