PUBCHEM-ZINC00402647 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 1 0 0 0 0 0999 V2000 -0.1510 0.7640 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.5070 -0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -0.6490 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 0.5590 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 1.4540 0.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 2.8660 0.4920 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0990 3.1820 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 3.3060 1.9780 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4450 3.3070 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 4.7510 1.8650 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4840 5.1890 2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 4.6690 0.8050 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1930 4.3540 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 3.6090 -0.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 5.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 5.7520 -0.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 4.8750 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 5.5860 1.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 5.5020 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 2.6500 2.8060 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3530 0.7820 -0.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 -0.3290 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -1.5610 -0.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -1.7070 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -3.2410 -0.8190 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 -0.1930 -0.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 1.2450 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 6.7900 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 6.1950 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 0.7230 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9710 -1.0080 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 24 2 0 0 0 0 4 5 1 0 0 0 0 4 21 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 M CHG 1 20 -1 M END