PUBCHEM-ZINC00467584 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.4400 2.2150 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 1.7060 1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 1.6010 3.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 2.8630 3.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 3.2590 2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 3.4110 1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 2.7260 5.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 3.5240 6.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 3.2350 7.7060 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 4.4390 5.8210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 5.4510 6.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 5.7840 7.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 6.8120 8.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 7.5120 7.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 7.2050 6.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 6.1780 5.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 8.8570 8.3230 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 9.7250 7.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 9.4210 9.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 8.1730 8.9340 N 0 5 0 0 0 0 0 0 0 0 0 0 5.0150 7.7820 8.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 1.2400 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 2.9910 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 2.4610 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 2.4540 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 0.7350 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 0.7740 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 1.3510 4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 2.5240 2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 4.2200 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 3.6120 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 4.2100 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 2.0260 5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 4.3260 4.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 5.2790 8.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 7.0590 9.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 7.7560 5.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 5.9580 4.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 2.1230 1.0220 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6390 1.3860 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 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 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 20 -1 M CHG 1 39 1 M END