PUBCHEM-ZINC06442657 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.3480 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -0.1590 -0.2260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2030 -0.6940 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -0.5110 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -0.9530 1.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -0.6060 0.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -0.6760 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -0.3570 0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 -0.4200 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 -0.8300 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 -1.1880 2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 -1.5400 3.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -1.0970 2.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -1.4520 3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1030 -0.8870 1.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7220 -1.5360 0.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 -0.0350 -0.9920 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 1.6660 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 1.6870 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 1.8750 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.8940 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -2.2830 3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -1.7490 4.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -0.5910 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 0.2770 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 -0.0730 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -0.3270 -0.8320 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 M CHG 1 27 -1 M END