IBS-ZINC05428474 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 -0.4260 1.3240 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -0.1540 -0.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4050 -0.5350 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -0.4600 1.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0680 -0.2050 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -2.0120 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -2.4210 1.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 0.2080 1.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 1.4870 1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 2.2410 2.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 1.8780 1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8770 3.2440 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 3.6460 2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2850 3.3860 3.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4720 3.8980 2.8310 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 3.8420 3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 4.5010 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 4.3580 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 4.8920 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4320 5.5490 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7670 5.6760 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2290 5.1530 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -0.8190 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -1.7400 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 1.8980 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 1.4590 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.7490 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -0.3980 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 1.1090 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 1.8790 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 4.0050 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 3.2280 3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 2.8700 4.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4790 4.7940 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0950 5.9630 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4620 6.1880 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 5.2520 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -2.6570 1.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 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 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 38 -1 M END