PUBCHEM-ZINC06293744 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 26 0 0 1 0 0 0 0 0999 V2000 0.1400 1.4820 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -0.0130 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -0.5320 1.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.6840 -1.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -2.1500 -1.1960 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4490 -2.5760 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -2.5960 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -2.2240 -2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -2.6960 -3.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 -2.2930 -3.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 -1.7030 -3.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 -2.6360 -5.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 -3.2840 -6.0820 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5020 -2.7410 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -2.0400 -1.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 1.7730 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 1.8260 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 1.9560 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -0.1660 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -3.6840 -2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -2.1470 -3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -1.1380 -2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -2.6730 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -3.7880 -3.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -2.2610 -4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 -2.2550 -5.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -3.8570 -0.6990 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 26 2 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 M CHG 1 13 -1 M CHG 1 27 -1 M END