PUBCHEM-ZINC05759496 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.3480 1.5810 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 0.1100 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -0.6860 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -0.5170 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 0.1910 2.8510 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -0.7870 4.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -0.4100 5.5310 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1630 0.6780 5.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -1.1340 6.5940 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1450 -2.1630 6.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -1.1470 7.8340 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0950 -2.1450 8.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -1.0080 7.1910 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9710 -0.1380 7.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -0.8370 5.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -2.1690 7.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -3.1880 6.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 -4.0740 7.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -3.6150 8.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -2.4270 8.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 -1.7630 9.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 -2.3780 10.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 -4.1660 9.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -5.3340 9.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -0.0770 8.5760 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1420 -0.4590 6.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 0.0050 7.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 1.7030 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 1.9780 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 2.2020 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 0.0430 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -0.6600 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -1.7340 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.2770 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -1.5930 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -0.3760 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -1.8440 3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -0.6060 4.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -3.2260 5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -0.8490 10.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -1.9400 11.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 -5.8130 8.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 -5.6690 9.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -3.5250 10.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 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 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 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 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 44 2 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 25 -1 M END