NIH-ZINC03045557 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 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 3 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.9200 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -1.3660 -3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -1.3810 -3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -0.9500 -2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -0.5000 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.6340 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -0.3610 2.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -1.1330 3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -1.2040 4.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -1.6890 5.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -1.5200 7.4420 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.1120 8.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 -0.1700 7.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 -2.5130 7.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -3.8320 7.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -4.6130 7.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 -4.0710 7.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 -2.7470 7.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 -1.9690 7.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 -4.8370 7.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 -4.2130 7.1110 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 -1.1060 -0.9090 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -1.7030 -4.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -1.7300 -4.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 -0.9620 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -0.1600 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.7070 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -2.1250 3.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -0.4500 3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -0.2110 4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -1.8860 4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -2.1090 5.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -4.2530 8.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -5.6430 8.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 -2.3230 6.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -0.9370 6.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 -3.3660 7.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1460 -3.8660 6.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0630 -4.9330 7.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 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 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 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 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M END