PUBCHEM-ZINC03078143 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 -0.6230 1.2850 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.2040 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -0.8650 0.6250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -2.1150 0.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -2.6530 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -1.3580 -1.8020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -4.0020 -0.8710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -5.0760 0.3780 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -6.3640 -0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -4.5310 1.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -5.0700 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -4.6600 2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -4.6560 3.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 -5.0610 2.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -5.4700 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -5.4700 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -5.9040 -0.7490 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4550 -6.3790 -1.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -5.7860 -1.4100 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3530 1.7700 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 1.5040 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 1.6600 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -4.3160 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -4.3440 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -4.3360 4.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 -5.0580 3.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 -5.7870 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END