PUBCHEM-ZINC04544099 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 40 0 0 1 0 0 0 0 0999 V2000 -1.5220 -2.4760 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -2.8490 -1.1240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0750 -3.2840 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -3.9050 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -3.6680 -1.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -0.8990 -2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -0.7480 -4.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -0.3990 -6.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -1.0930 -7.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -1.1040 -6.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 1.6090 -5.0530 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4470 1.9730 -6.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 2.0700 -4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 2.2540 -4.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 2.2950 -3.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -0.6590 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 0.3710 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 0.1120 -1.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -2.1820 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 -1.6600 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -3.3350 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 0.0490 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -1.4960 -3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -0.3080 -3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -1.7540 -4.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -1.0850 -6.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 0.4780 -7.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 3.1360 -4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 1.5320 -4.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 1.9710 -3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -1.2640 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -0.1710 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -4.7650 0.1100 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1940 -1.5950 -1.6900 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0590 -2.1070 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 0.0630 -5.1730 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2470 -0.2690 -5.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -1.5050 -8.4490 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8810 2.6200 -5.5460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0900 1.5740 -1.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 2.0050 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 34 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 33 -1 M CHG 1 34 1 M CHG 1 36 1 M CHG 1 38 -1 M CHG 1 39 -1 M END