NIH-ZINC00384157 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 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 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8110 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -2.6720 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -4.0320 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -4.5780 -1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -3.7040 -2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -2.3260 -2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -4.6600 -3.9030 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -6.1440 -3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -5.8760 -1.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -7.4170 -3.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -8.7360 -2.6590 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -9.8470 -3.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -8.4820 -1.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -8.6630 -2.6880 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 0.5290 -0.3650 0.8850 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 -0.2490 -2.2680 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -4.6880 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -1.6580 -3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -7.5380 -4.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -8.7110 -3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -9.5040 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -7.7290 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 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 24 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 M END