IFLAB-ZINC04568670 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 1.9560 1.6790 1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 0.3940 1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -0.6780 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -0.5060 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 0.7480 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 1.8760 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 3.2940 -0.2350 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5780 3.9600 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 3.4840 -1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 4.8540 -2.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 5.9050 -1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 5.8090 -1.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 7.1930 -2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 7.9360 -3.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 7.3100 -4.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 4.2770 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 4.9860 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 4.1350 2.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 3.7570 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 2.9800 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -1.6890 -0.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -2.6270 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -1.9890 1.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 2.5310 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 0.2460 2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 0.8270 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 2.9090 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 3.1190 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 5.0360 -2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 7.8120 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 7.4810 -3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 9.0170 -3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 7.9690 -4.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 6.4400 -4.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 4.9490 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 3.3740 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 5.2490 3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 5.9150 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 3.1250 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 4.6520 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 2.0730 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 2.7340 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -3.2540 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -3.2660 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 3.8380 0.3500 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6990 4.7210 -0.1940 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 45 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 30 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 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 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 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END