PUBCHEM-ZINC00824563 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 1.3850 0.3010 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 0.1660 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -0.5350 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -0.4440 1.2060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8570 0.0990 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -1.9250 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -2.2640 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 -3.5900 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -4.6040 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -4.3150 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -2.9690 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -2.6090 2.7850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -1.3460 2.6240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5770 -1.4470 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.1850 2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -0.1410 3.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 1.1920 2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -1.0820 3.6550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -1.9320 4.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -1.6480 5.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 -2.5030 6.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -3.6590 6.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 -3.9540 5.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -3.0890 4.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -3.3960 3.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -4.2760 4.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -5.4630 1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -5.2090 1.7610 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5970 -0.6550 -1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 0.9770 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 0.7280 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.2030 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -1.6090 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -0.3820 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -0.1220 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -1.4890 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -3.8310 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -5.6390 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 0.7100 3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -0.0270 4.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -1.0420 3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 1.2130 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 1.4550 3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 1.9890 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -0.2440 3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -0.7510 5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 -2.2670 7.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 -4.3300 7.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -4.8590 6.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -6.6170 1.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 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 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 27 50 2 0 0 0 0 M CHG 1 28 -1 M END