PUBCHEM-ZINC05178800 MOE2007 3D CORINA 3.40 0006 02.08.2006 17 16 0 0 0 0 0 0 0 0999 V2000 0.3210 1.8490 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 0.5730 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -0.5730 0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -0.3540 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 2.0630 0.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 2.2210 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 3.3960 -1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 3.1110 -2.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 2.9760 0.9670 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 2.8160 1.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 2.7150 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 1.7270 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 0.4440 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 0.5910 -1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 2.3660 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 1.2980 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 4.4870 -1.9920 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 9 10 2 0 0 0 0 M CHG 1 17 -1 M END