PUBCHEM-ZINC04545878 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 0.1940 1.5720 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 0.1440 -0.7710 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8550 0.0730 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -0.3350 -0.3720 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8790 -0.1650 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -1.8500 -0.0520 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4220 -2.0390 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -2.4150 0.5260 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7730 -1.9340 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 -2.2020 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 -3.0940 -0.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -2.6000 -1.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -2.0940 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 0.3790 0.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 1.1470 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -0.7570 -1.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -0.4080 -1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 2.3100 -0.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 2.9360 0.7800 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 4.3750 0.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 1.5700 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 2.0910 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 -1.1660 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -3.8790 0.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -4.2230 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3080 -4.2930 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 2.0500 1.2670 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1450 2.7680 1.5660 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 27 -1 M CHG 1 28 -1 M END