IBS-ZINC05085455 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.4790 1.5370 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.3410 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -0.3360 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 0.1840 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 1.3910 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 2.0540 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 1.8990 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 3.0980 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 3.5260 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 2.7510 0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 1.5410 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 1.1540 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -0.0540 -0.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -0.5820 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 -1.6360 -1.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 0.7230 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 0.3980 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4540 0.5780 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1650 -0.2500 2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7700 0.0420 3.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7010 -0.1420 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 3.1520 1.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 2.0720 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -0.0620 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -1.2730 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 2.9920 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 3.7370 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 4.4620 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6830 -0.3290 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3420 1.1540 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5480 1.0860 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3380 -0.6310 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4280 0.2920 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5250 1.6380 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2460 -1.3170 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9150 -0.0380 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5600 -0.6190 3.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7360 1.0710 3.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6460 -1.1800 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7230 0.1660 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0450 4.0530 1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0330 0.7200 0.8640 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0490 1.7110 1.1870 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 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 26 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 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 16 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 29 1 0 0 0 0 16 30 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 42 1 0 0 0 0 22 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END