PUBCHEM-ZINC06031827 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.2200 1.6520 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 0.1320 0.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1200 -0.2870 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -0.3660 1.2740 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6520 0.1170 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -1.8860 1.2100 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1260 -2.3880 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -2.2910 -0.1080 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5400 -3.3840 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -1.6860 -1.2950 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3010 -1.8550 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -0.2670 -1.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -2.3430 -1.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -2.0670 -2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 -1.8210 -0.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 -2.0690 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -2.2730 2.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -2.2980 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 2.1190 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 1.9750 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 2.0350 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -0.9960 -2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -2.4210 -3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -2.6000 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.0500 2.5680 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9960 -0.3340 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.9430 2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.5970 3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 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 1 0 0 0 0 17 18 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M CHG 1 25 1 M END