PUBCHEM-ZINC05028957 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.0180 0.1880 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5140 2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -0.4050 3.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 0.9930 4.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 1.8500 3.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 1.7560 2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 1.5200 5.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 1.2990 5.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 1.8550 6.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 2.6250 7.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 2.8360 7.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 2.3140 6.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 3.6110 7.9400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 4.2610 9.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 4.6570 10.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0910 3.7660 10.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 5.3620 11.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 6.8200 10.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 6.8410 10.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 5.5870 9.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8650 1.6980 6.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 0.6280 4.0730 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1550 -0.3380 4.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 1.0540 2.9230 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8650 0.5960 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -0.8690 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 0.7480 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -1.5530 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -0.1310 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -0.9610 4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -0.9020 4.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 2.9060 3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 1.5360 4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 2.1700 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 2.2780 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 3.7420 7.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 5.1480 8.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 3.5920 9.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 5.0550 11.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 5.1580 12.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 7.1080 10.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 7.4910 11.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 7.6620 9.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 6.9130 10.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4170 1.0650 5.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3070 2.2240 7.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 0.3030 1.7430 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6770 -0.0840 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 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 32 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 6 47 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 22 1 0 0 0 0 9 10 1 0 0 0 0 9 21 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 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 47 1 M END