NIH-ZINC00456140 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 1.0270 -2.0640 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 -1.8980 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -2.4530 3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 -3.9840 3.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -4.4570 3.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -3.9180 2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -5.5760 4.5850 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -6.2160 3.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -6.2810 5.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -4.6900 5.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -4.3110 5.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -3.6150 6.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -3.2980 8.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -3.6780 8.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -4.3780 7.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -2.5390 9.1470 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 3.4840 -2.2430 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 -0.8090 2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 -2.0850 3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -2.1290 4.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -4.3110 2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -4.3860 4.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -4.2760 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -4.2400 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -4.5580 4.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -3.3180 6.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -3.4310 8.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -4.6780 7.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -3.2430 9.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -1.9360 9.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -1.8890 8.7600 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