PUBCHEM-ZINC04306015 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 0 0 0 0 0 0999 V2000 -0.3250 1.3730 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 2.5200 1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 2.4540 3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 2.3100 3.8760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 1.2270 3.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 1.3060 1.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 3.0320 4.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 4.3920 5.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 4.9720 6.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 4.2330 7.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 2.9250 6.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 2.3180 5.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 2.1060 7.7470 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 2.5700 8.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 1.3760 9.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 1.7990 11.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8870 0.9050 13.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9910 -0.0590 11.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 6.3140 6.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 5.2410 4.1200 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2770 5.1860 2.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 5.9730 4.4560 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7200 1.3500 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 2.2830 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 0.4810 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 3.4350 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 2.4550 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 1.5780 3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 3.3220 3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 0.2630 3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 1.2680 3.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 0.4250 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 2.2150 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 1.1420 7.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3010 3.0540 9.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8320 3.3050 8.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4130 0.9020 9.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 0.6240 9.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 2.3170 11.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1530 2.4530 10.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6650 1.6660 13.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 1.2710 13.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 -0.0140 13.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8020 -0.3910 10.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8000 0.6760 11.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 -0.9250 11.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 6.9550 6.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 6.6520 7.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 1.3490 1.2420 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1170 0.4810 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 0.5830 11.8350 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9850 -0.1170 11.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 49 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 20 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 51 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 51 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 51 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 49 1 M CHG 1 51 1 M END