PUBCHEM-ZINC05525350 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 1.2020 0.7350 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -0.3920 -0.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -0.9070 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -0.5520 1.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -1.9950 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -2.6870 2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -2.4260 3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -3.3140 4.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -2.6150 5.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -1.3300 5.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -1.2130 4.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -0.1430 6.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 1.0930 5.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 2.2180 6.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 2.1090 7.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 0.8990 8.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -0.2200 7.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 3.5730 8.9160 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 3.2940 9.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 4.6460 7.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 3.6290 9.5200 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.4190 2.8140 10.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -2.3230 -0.4310 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -1.0020 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -0.6220 -2.8700 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 0.4210 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 1.5500 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 1.0970 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -3.5060 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -4.3540 4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -3.0140 6.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 1.1950 4.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 3.1670 6.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 0.8210 9.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -1.1560 7.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 M CHG 1 21 -1 M END