PUBCHEM-ZINC00331188 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8100 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -2.3370 -2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -3.7190 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -4.5180 -1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -3.9820 -0.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.6760 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 -5.9920 -1.7030 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5780 -6.4950 -2.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -6.7000 -0.8370 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1100 -4.2800 -3.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -3.3880 -4.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -4.1960 -5.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -1.6880 -3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -2.2760 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 -2.7680 -5.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7510 -4.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 -4.8160 -5.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -4.8330 -6.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -3.5160 -6.5000 H 0 0 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 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END