PUBCHEM-ZINC00599925 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 0.2020 2.2040 -1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 1.8210 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 3.7740 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 3.8340 1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 5.2560 2.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 5.3260 3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 5.6580 4.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 5.7070 5.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 5.4000 5.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 5.0650 4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 5.0270 3.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 4.6780 2.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 6.0420 7.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 5.6410 7.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 6.8100 8.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 7.2110 9.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 8.0150 10.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 8.4500 11.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 8.0900 11.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 7.2830 11.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 6.8480 9.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 8.5410 13.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 7.6340 14.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 8.1060 15.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 9.4040 15.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 10.2670 14.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 9.8930 13.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 1.1520 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 2.8350 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 2.5120 -1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 2.4760 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 0.8050 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 1.7890 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 4.1110 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 4.3870 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 3.1380 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 3.5160 2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 5.9490 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 5.6100 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 5.8780 4.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 5.3830 6.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8790 4.8210 4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6630 4.5520 2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 7.1400 7.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 8.3170 9.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 9.0650 11.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 6.9870 11.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 6.2240 9.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 6.5710 14.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 7.4270 16.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 11.3070 15.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 10.6500 12.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 2.3500 0.3020 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0420 1.7540 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 53 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 44 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 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END