PUBCHEM-ZINC05426056 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.0950 0.5970 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -0.7260 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -0.8190 0.8900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6510 -1.8630 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -0.0970 1.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -0.5070 1.9570 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6720 -1.3960 2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -0.7880 0.1990 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 0.3490 -0.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -2.1330 0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 0.8680 2.6260 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0930 0.7840 3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 1.0700 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 1.9490 2.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 1.8080 1.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 2.9230 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 3.2000 3.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 3.7290 1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 5.1410 1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 6.1320 1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 7.4390 2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 7.7670 2.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 6.7880 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5880 5.4800 2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -0.5080 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 -0.6590 2.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -1.9160 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 0.6810 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 0.6730 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 1.4660 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 1.6180 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 3.7610 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 3.1880 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 5.8870 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 8.2010 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 8.7850 3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8230 7.0430 3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 4.7270 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -1.9040 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -2.8690 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -1.9000 -2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -0.2160 -0.1010 O 0 5 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 8 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 M CHG 1 42 -1 M END