PUBCHEM-ZINC06816810 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.2340 1.3090 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -0.1310 -0.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -0.6640 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.0070 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 -2.9110 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -4.1220 0.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -2.2930 -1.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -0.9120 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -0.4240 -2.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -3.1210 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -2.6330 2.4880 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6230 -2.6120 3.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -3.1570 2.6540 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3600 0.1180 2.2530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 1.4940 2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 1.6890 3.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 0.6920 4.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 1.7760 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 1.5680 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 1.7140 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -4.1820 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -2.9770 -2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -2.8020 -3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -0.3060 3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 1.6900 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 2.2070 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 2.8040 4.2200 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 8 1 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 27 -1 M END