PUBCHEM-ZINC05159591 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 1.5190 1.3120 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -0.1370 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -1.0220 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -2.2850 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -2.1490 -0.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -0.8150 -0.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -3.5930 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 -3.7890 2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -5.0170 3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -6.0720 2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -5.9110 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -4.6540 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -4.5440 -0.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -3.3290 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -7.1270 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -7.8810 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -8.5920 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -8.9020 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -0.7040 2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -1.6330 2.8120 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8240 1.8820 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 1.6350 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 1.5680 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -2.9670 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -5.1480 3.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -7.0320 3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -5.3940 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -3.5880 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -2.7060 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -2.7620 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -7.8180 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -6.8060 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -7.1760 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -9.1650 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 -7.8760 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -9.2860 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -8.4060 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -9.4320 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -9.6450 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 0.4950 2.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 2 0 0 0 0 M CHG 1 20 -1 M END