IBS-ZINC05192221 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 1.3640 1.8020 1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 0.3250 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -0.4680 1.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.8140 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -2.6430 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -4.0090 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -4.5530 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -3.7230 2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -2.3570 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -5.9390 1.8690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -6.7980 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -6.2950 -0.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -7.0900 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -8.4660 -0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -8.9580 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -8.1020 1.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -10.3220 0.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -10.8150 1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -11.9450 2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -12.4310 3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -11.7940 3.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -10.6670 3.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -10.1790 2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -10.0470 3.8890 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -9.3850 -2.0410 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2430 -9.8400 -2.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -9.6860 -2.0620 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9310 -6.5560 -2.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 2.0990 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 2.4070 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 1.9520 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 0.0280 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 0.1750 2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -2.2190 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -4.6540 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -4.1460 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -1.7120 2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -6.2970 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -10.9330 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -12.4430 1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -13.3090 3.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -12.1760 4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -9.3030 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -5.5960 -2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -7.1410 -3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 25 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 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END