NIH-ZINC05075024 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -0.1080 -2.6770 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -1.8590 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 0.3360 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 0.0910 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 0.6570 2.7720 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -1.8680 4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 0.4230 3.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 0.9810 4.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 0.7630 5.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.0300 6.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -0.6010 6.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.3730 4.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -0.8900 4.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -1.6850 5.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -0.6870 3.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 0.0170 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 1.4900 -1.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 2.0450 -1.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 2.1330 -2.2710 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 3.5310 -2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 4.0130 -3.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 5.4630 -3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 5.8210 -5.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 7.1610 -5.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 8.1480 -4.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 7.8170 -3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 6.4750 -2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 9.8830 -5.0680 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 10.6020 -3.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 9.9360 -6.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8040 10.1310 -5.6860 N 0 5 0 0 0 0 0 0 0 0 0 0 -5.4520 10.0160 -4.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -3.7300 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -2.6350 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -2.3320 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -2.1730 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -2.1370 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 0.1030 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 1.4170 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 1.6030 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 1.2140 5.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -0.2040 7.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -1.2220 6.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -0.1810 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5360 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 1.6300 -2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 4.1230 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 3.6320 -3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 3.3880 -4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 3.8600 -2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 5.0580 -5.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 7.4290 -6.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 8.5940 -2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9560 6.2230 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -0.4000 -0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 55 1 0 0 0 0 4 5 1 0 0 0 0 4 15 2 0 0 0 0 5 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 55 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 1 31 -1 M END