NIH-ZINC03779983 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 59 0 0 1 0 0 0 0 0999 V2000 -0.8210 0.6970 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -0.8200 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -1.2060 2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -0.5180 1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 0.9990 1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 1.3840 0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -0.9040 3.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2960 -0.5870 4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -0.2160 2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 -0.5010 3.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 0.1570 3.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 1.5400 4.1130 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9840 2.2510 3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0590 1.6690 3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 2.6440 3.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3710 0.4740 3.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3480 -0.3850 3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3900 -1.5260 2.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5470 1.7420 5.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7880 3.2170 5.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 3.4440 7.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8230 4.9180 7.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6160 5.1450 9.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8570 6.6190 9.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 6.8420 11.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3470 5.9180 11.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 -2.3210 3.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 0.9720 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 1.0140 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 -1.3100 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -1.1370 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.8890 3.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -2.2870 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -0.8350 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 1.3160 2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 1.4890 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 1.0680 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 2.4650 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 -0.6000 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 0.8590 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 -0.1180 4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 -1.5760 4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2310 0.2620 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5590 1.4480 5.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3060 1.1310 6.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8090 3.4880 5.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0870 3.8340 5.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 3.1730 7.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2830 2.8260 8.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8430 5.1890 7.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1220 5.5350 7.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5960 4.8740 9.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3170 4.5270 9.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8780 6.8900 9.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1560 7.2370 9.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 -2.6740 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8130 8.0690 11.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 8.1630 12.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 57 1 0 0 0 0 27 56 1 0 0 0 0 57 58 1 0 0 0 0 M END