IFLAB-ZINC05258692 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 0.2970 0.1690 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 0.5370 3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 2.3250 2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 2.9460 2.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 4.4300 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 6.5660 3.6120 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4970 6.9870 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 7.2130 4.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2620 6.8400 3.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 5.7260 2.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2360 7.8200 3.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4840 7.7770 2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3340 8.8820 2.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5840 8.9190 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9930 7.8500 1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1490 6.7580 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9040 6.7100 1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5400 5.7280 0.5590 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 6.7930 4.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 5.7340 5.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -0.9030 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 0.5970 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.3410 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 1.0380 3.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -0.5470 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 0.8860 4.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 2.4250 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 2.7950 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 2.4280 2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 2.8360 3.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 4.9400 2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 4.5940 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 6.8970 5.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 8.3030 4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0490 8.6640 3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0380 9.7310 3.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2330 9.7810 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9580 7.8620 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2980 5.8290 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 0.8430 2.2980 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5050 0.4180 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 5.0580 3.4210 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9580 4.8690 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 4.7260 4.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 7.9160 4.7100 O 0 5 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 40 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 42 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 39 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 M CHG 1 40 1 M CHG 1 42 1 M CHG 1 45 -1 M END