NIH-ZINC05026018 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -3.9660 -0.4640 2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 2.0330 3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 3.2360 2.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 3.0340 3.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 1.8240 3.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 0.5960 3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 3.8010 4.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 3.1270 5.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 3.7970 6.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 3.0560 7.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 3.6810 9.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 5.0560 9.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 5.8020 8.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 5.1650 6.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 5.9330 5.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 7.1420 5.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 5.2100 4.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 5.9530 3.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 7.0800 3.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 7.7960 2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 7.4010 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 6.2950 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 5.5780 2.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -0.3430 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 -0.5070 4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 -1.3600 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 1.9750 4.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 2.0900 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 3.3290 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 4.1400 3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 1.8660 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 1.7450 3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -0.3190 3.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 0.5060 4.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 1.9820 7.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 3.0960 9.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 5.5460 10.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 6.8760 8.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 7.4100 4.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 8.6660 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 7.9650 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 5.9960 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 4.7430 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 0.7230 2.6760 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9070 0.7370 1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 6 44 1 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END