PUBCHEM-ZINC05157083 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 0.4020 0.4690 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -0.8440 -0.1510 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2710 -1.5710 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 0.4170 0.1810 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5410 0.4540 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 1.1170 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 1.5970 1.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -1.5590 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -1.1510 0.9240 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0000 -0.9460 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -2.2850 1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 -1.8950 2.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 0.5900 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 1.0100 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -2.6260 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -1.4930 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 1.1980 1.9980 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5230 -3.3640 1.0010 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.7420 0.1000 1.7440 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4130 0.7700 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 0.6350 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -0.2650 2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 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 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 M CHG 1 17 -1 M CHG 1 18 -1 M CHG 1 19 1 M END