NIH-ZINC00456139 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8150 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5530 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.3880 2.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5600 -2.0380 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -1.9350 3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -2.4890 5.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -4.0200 4.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -4.4610 3.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -3.9180 2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -5.5490 3.6120 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 -5.3520 2.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -5.4530 4.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -7.1580 3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -7.7420 2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -9.0050 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -9.6840 3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -9.1020 4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -7.8410 4.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -11.0610 3.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -0.8460 3.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -2.3050 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -2.1390 5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -2.1460 5.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -4.4190 5.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -4.3750 5.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -4.2650 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 -4.2490 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -7.2100 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -9.4600 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -9.6330 5.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -7.3870 5.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -11.8090 3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -11.2210 4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -11.1480 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END