IBS-ZINC01781312 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -0.6920 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 0.0180 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 1.4320 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.1050 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 2.1230 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 3.4870 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 4.1020 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 3.3640 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 2.0080 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 1.3760 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7490 0.0530 -0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -0.6380 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -1.7610 0.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3630 3.9780 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 5.3090 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5420 5.7500 1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5830 7.1040 1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4850 8.0200 0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3460 7.5830 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3120 6.2300 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1700 5.7630 -2.1760 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0890 6.5720 -3.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1340 4.5700 -2.4190 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5290 9.4960 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 9.9410 1.0580 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 10.1880 0.1480 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 9.7310 2.3750 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6460 4.7700 2.6690 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7680 5.1580 3.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6100 3.5770 2.4300 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9630 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -1.7720 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 3.1850 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 4.0600 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 5.1600 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 1.4430 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6910 7.4480 2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2690 8.3000 -1.3050 H 0 0 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 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 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 30 1 M CHG 1 32 -1 M END