PUBCHEM-ZINC05158408 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 1.5280 -1.3300 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -0.3730 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 0.5690 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -0.5870 -1.3430 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3040 -1.6740 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 0.0410 -2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -0.2160 -3.6370 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3700 0.5520 -4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -0.0980 -2.2200 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4590 -0.7230 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 1.3570 -1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 2.2960 -2.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 1.7150 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 0.7590 -0.7810 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2020 -1.6180 -4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -2.1130 -4.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -2.3560 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -1.2860 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -1.1100 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 1.2930 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 0.6660 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -0.5260 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 1.0930 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -0.0060 -3.4710 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8360 -0.9070 -3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 0.7920 -4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 2.9160 -0.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -2.0460 -4.4530 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 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 6 1 0 0 0 0 4 9 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 27 2 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 14 -1 M CHG 1 24 1 M CHG 1 28 -1 M END