PUBCHEM-ZINC06019747 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 22 0 0 1 0 0 0 0 0999 V2000 -0.0830 1.7360 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.0640 -0.1300 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -0.3930 1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -1.8930 1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -2.1960 2.9660 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7850 -1.7000 2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -3.7490 3.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -4.3490 3.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -1.7800 4.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -1.6050 5.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -0.4370 5.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 2.1750 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 2.1300 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 2.0210 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 0.1370 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 0.0060 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -2.4200 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -2.2900 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -2.6190 4.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -1.4820 6.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -2.4680 5.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 -0.4060 6.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 -4.2070 2.3660 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 M CHG 1 23 -1 M END