NIH-ZINC05094768 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 1.5060 1.6640 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 0.2890 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -0.4960 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 0.1220 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 1.4950 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 2.2860 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 3.7800 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 4.3720 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 4.5060 -0.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -1.8820 -0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -2.6950 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -2.3090 -2.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -4.2010 -0.8150 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4670 -4.4080 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -5.0200 -2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -6.5210 -1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 -6.8980 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 -6.1360 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 -4.6100 0.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5300 -4.2520 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 -4.0430 1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -3.3430 1.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 2.2500 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -0.1360 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -0.4600 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.9450 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 4.0460 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 4.2700 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -2.3700 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -4.7730 -2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -4.7470 -2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -6.8300 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -7.0560 -2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -7.9760 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -6.6840 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -6.4770 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 -6.4090 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 4.7160 -1.9790 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5490 -4.2970 2.2540 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 38 -1 M CHG 1 39 -1 M END