IBS-ZINC05429016 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 -0.1380 1.4840 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -0.0380 -0.1130 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2490 -0.4430 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -0.5280 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -1.0490 1.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -0.5040 0.9310 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -0.4590 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -0.0130 -0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -1.0260 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 -1.0310 1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0220 -1.6230 3.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 -1.6540 3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2780 -2.7140 2.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5950 -2.3470 2.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3710 -2.9310 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7150 -1.0640 3.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 -0.6010 3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 0.7080 3.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 1.5000 4.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6760 1.0080 3.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8590 -0.2850 3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 1.8990 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 1.8360 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 1.9090 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -0.8960 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -0.4240 2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -2.0480 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 -1.6070 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7380 -0.0070 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 -1.0420 4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 -2.6420 3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9930 -3.6950 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2790 1.1030 4.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2790 2.5100 4.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5430 1.6400 4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8530 -0.6650 3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -0.3630 -0.7780 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 6 7 1 0 0 0 0 6 25 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 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 M CHG 1 37 -1 M END