PUBCHEM-ZINC06171983 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.6580 1.1420 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -0.2440 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -0.1320 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 0.6450 1.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7180 1.7160 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 0.4210 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -0.3000 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -0.9180 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -1.7150 -3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 -2.2300 -3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 -1.2230 -4.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 -0.0810 -3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 0.5270 -2.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 1.1420 2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 0.5800 3.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 -0.0400 3.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4360 -0.3950 4.9200 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6820 -1.0870 5.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8080 -1.2990 6.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 -0.8790 7.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 -0.2300 7.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 -0.0180 5.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 0.5710 5.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 0.9780 5.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -1.1210 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 1.8210 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 1.0540 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 1.6240 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 0.3460 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -1.1490 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 0.8800 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -1.9800 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.8790 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -1.4710 -4.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -2.5120 -2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 -2.5620 -2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 -3.0870 -4.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 -0.3760 -2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 0.6550 -3.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 1.3990 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 0.8850 -3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 2.0740 3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 1.3430 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 -0.2740 2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4420 -1.4040 4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6970 -1.8000 7.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9580 -1.0600 8.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 0.0940 7.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -1.2420 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -2.1220 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -0.6780 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -0.4890 -2.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 0.2240 2.4060 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1760 0.1100 3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -0.7180 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 53 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 52 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 52 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 53 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 M CHG 1 17 1 M CHG 1 53 1 M END