IBS-ZINC02253163 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 0 0 0 0 0 0999 V2000 -0.7610 2.6410 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.8550 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 4.1910 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 4.3940 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 5.8330 1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 6.0280 2.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 7.2260 3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 8.1460 3.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 7.4230 4.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 7.1380 4.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 7.3230 5.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3260 7.7930 6.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 8.0760 7.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 7.8880 5.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 8.1840 5.9960 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2570 8.7070 6.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 7.9060 5.0580 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.1080 7.9740 8.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 8.4570 9.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2200 7.0480 5.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7300 6.5710 4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 1.6090 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 2.8760 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 3.3110 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 2.0160 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 0.8380 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 2.0020 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 4.8820 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 4.3800 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 4.2060 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 3.7040 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 6.0220 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 6.5240 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 5.2940 3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 6.7750 3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 8.4400 7.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 8.5570 10.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 7.7550 9.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 9.4290 9.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5510 7.3160 3.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2270 5.6410 4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8010 6.3910 4.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 2.8100 -0.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 43 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 36 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 18 19 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END