NIH-ZINC02819572 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 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 0.8510 -0.5890 -1.4900 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -0.2970 -2.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -0.2740 -1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -2.2400 -1.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -2.9400 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -4.4310 -1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -5.1620 -1.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -6.6530 -1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -7.3730 -2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -7.5160 -3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -8.1760 -3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 -8.6940 -2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4320 -8.5520 -0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -7.8950 -0.8600 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 1.6250 -2.7440 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -2.8090 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -2.5310 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -4.5620 -2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -4.8400 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -5.0300 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -4.7520 -2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -6.7840 -2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -7.0620 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -7.1120 -4.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -8.2880 -4.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0460 -9.2090 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 -8.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 -7.7870 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 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 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 M END