IBS-ZINC02199808 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.0720 1.1170 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -0.2250 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -0.7720 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 0.0310 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 1.3670 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 1.9170 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 2.1830 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 3.3680 0.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 1.5370 -0.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 0.2010 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 -0.3620 -0.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -0.5070 -0.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -1.4790 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 2.3160 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5260 2.4610 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7820 3.3460 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4810 3.4490 2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7730 2.0800 3.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4850 1.2500 3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8350 1.0990 2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9200 1.3490 2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5530 1.8420 1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1960 0.1110 3.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2090 -0.7990 2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1340 -2.1900 3.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2680 -2.2770 4.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 1.5400 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -0.8460 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -1.8180 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 2.9620 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6960 1.8610 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 3.3140 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 2.9630 1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4850 2.9540 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5110 4.3550 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4070 4.0270 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8380 4.0220 3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1230 2.2490 4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6620 0.2550 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 1.7430 4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9110 0.5220 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4910 0.5150 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7010 -0.2800 3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0610 -0.8900 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1910 -0.3510 2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9320 -3.0550 2.8090 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 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 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 M CHG 1 46 -1 M END