NIH-ZINC02842346 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.4970 1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.5200 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -0.3990 -1.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -0.0420 -1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -0.8250 -2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 -0.3830 -2.9460 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 -1.3950 -4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 -1.1370 -4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4860 -1.9030 -4.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8200 -1.6670 -4.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 -0.6640 -5.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 0.1010 -5.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8630 -0.1380 -5.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -0.8660 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 1.0260 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -0.2880 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -1.8940 -2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -0.5780 -3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 -2.4490 -4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 -1.1340 -5.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2090 -2.6860 -3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5840 -2.2650 -3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2170 -0.4790 -5.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4740 0.8850 -6.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 0.4580 -6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 M END