PUBCHEM-ZINC02548295 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 -0.0850 1.2560 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -0.0690 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -0.7680 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -1.5060 1.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 -2.3830 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -3.2950 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -3.4230 3.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -4.3570 4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 -5.1900 4.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 -5.0580 3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -4.1360 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 -4.0900 1.6480 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -3.1990 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -2.3480 0.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 -6.2080 5.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 -6.9270 5.6410 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7620 1.9260 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 1.6970 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -0.6980 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -1.4350 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -0.0460 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -1.3390 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -2.8040 3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -4.4390 5.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 -5.7070 3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4010 -3.1650 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -6.2680 6.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 2 0 0 0 0 M CHG 1 16 -1 M END