PUBCHEM-ZINC04530272 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 40 0 0 1 0 0 0 0 0999 V2000 0.2360 1.4560 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -0.2890 -0.2410 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -0.5370 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -1.9690 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 -2.1850 0.2030 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9200 -1.9020 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 -3.7100 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4830 -3.9740 1.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 -1.3680 1.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4160 -1.1140 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 -1.1670 0.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9790 -0.8540 2.6600 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4920 0.0400 3.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7300 -2.0640 3.5890 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6560 -2.1420 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4960 -1.9360 4.9260 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.5760 -1.9360 4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 -3.1420 5.8380 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1210 -3.2240 6.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9300 -3.0510 7.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7260 -4.2690 7.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7500 -4.9570 7.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6110 -4.3760 5.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4470 -4.2590 4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 -0.7210 5.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6520 -0.0100 5.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 -3.3070 2.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 -3.5880 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3750 -0.5670 2.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 1.7970 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 1.5940 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 2.0600 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 0.1840 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 -0.3370 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -2.6660 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -2.1970 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 -1.0740 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5710 -2.2180 7.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0100 -2.9440 7.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7250 -1.1860 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 -4.4930 -0.4430 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 41 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 29 40 1 0 0 0 0 M CHG 1 41 -1 M END