ASINEX-ZINC04949873 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 0.2860 1.2760 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -0.2260 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -0.8290 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -2.2050 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -2.9840 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -2.3760 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -0.9990 -1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -0.3380 -2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -4.3770 0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -5.0930 1.1320 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -6.4950 0.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -4.4280 2.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -4.7140 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -5.5560 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 -5.2590 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 -4.1210 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 -3.2790 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -3.5780 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 -2.0600 1.0600 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6210 -1.2560 1.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 -1.8600 0.7670 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.5600 -3.7960 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2080 -6.1600 -1.7280 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6010 -7.0940 -2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 -5.9680 -2.0230 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3270 1.6000 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 1.5940 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 1.7200 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -0.2220 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -2.6750 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -2.9790 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -0.2170 -3.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -0.9580 -3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 0.6400 -2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -4.9240 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -6.4460 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -2.9230 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2920 -4.2480 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6970 -2.7150 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6950 -4.1910 -1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 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 36 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 23 1 M CHG 1 25 -1 M END