PUBCHEM-ZINC00238587 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 1.5060 1.1680 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -0.2250 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -0.4460 1.5550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -0.0930 2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -1.0650 2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.9360 2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -1.2040 1.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 -1.1310 3.5480 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1220 -0.2590 4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -2.4110 4.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -2.6740 5.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -2.7110 5.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -1.1970 3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 -1.3520 5.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 -1.2030 7.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5190 -2.2850 7.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7620 -2.1550 9.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5050 -0.9330 9.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0140 0.1570 9.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 0.0180 7.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -0.7950 11.3110 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1780 -1.7850 11.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 0.3030 11.8310 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5480 1.3290 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 1.3060 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 1.9400 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.3740 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -0.9690 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -0.0520 3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 0.9180 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -1.0100 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -2.1000 2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -0.8270 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -2.3530 3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -3.2660 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.8930 6.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -3.6260 5.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 -2.7980 6.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 -3.5400 5.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 -2.0150 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -0.2490 3.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 -0.4810 5.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2100 -2.2480 5.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7230 -3.2420 7.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1470 -3.0110 9.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8160 1.1150 9.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4010 0.8780 7.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 -1.4250 5.3270 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8070 -0.6520 5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 48 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 48 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 48 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 48 1 M END