NIH-ZINC06498624 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 -1.3600 1.1170 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -0.2080 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.7150 1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -2.5400 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 -2.0990 2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 -2.5640 3.8420 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -3.4360 4.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -3.8780 4.4000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8890 -3.4470 3.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -3.8910 3.0790 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4630 -3.8890 5.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -4.1570 7.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -3.4290 8.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5520 -3.4000 6.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 -4.1260 5.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5660 -3.2740 9.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9400 -3.8830 9.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0150 -3.2740 8.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2760 -3.8330 8.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4610 -5.0020 9.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3860 -5.6110 10.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1260 -5.0500 10.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -1.2220 1.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 1.8510 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 1.4780 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 0.9660 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -0.9430 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -0.0580 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 0.0190 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -0.8660 2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.7750 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -1.8900 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -2.2600 4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -3.7900 6.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -5.2290 7.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 -2.3520 8.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 -3.7040 9.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6110 -3.6540 6.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4440 -2.3230 6.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 -5.1960 5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 -3.7390 4.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 -3.5140 10.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 -2.1910 9.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8700 -2.3600 8.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1160 -3.3570 8.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4460 -5.4390 9.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5300 -6.5250 10.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 -5.5240 10.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -4.5140 5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 -3.8140 8.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 24 2 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 51 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 51 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 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END