NIH-ZINC04039051 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 63 0 0 1 0 0 0 0 0999 V2000 1.5620 0.2650 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -0.6600 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -0.9280 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -1.9370 0.7010 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -2.6110 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -3.5610 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -3.8680 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -3.2170 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -2.2070 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -1.4470 -0.8090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -0.3710 2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 1.0900 2.8250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5980 1.2320 3.9260 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0380 0.2530 4.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 1.6730 5.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 2.0420 4.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 2.5220 5.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 1.7680 3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 2.0510 2.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.7380 6.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 3.1590 6.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 4.8420 8.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 5.0150 10.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 4.2120 10.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 2.8210 10.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 2.5250 8.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 2.1960 3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 1.8010 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 2.7050 3.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 3.9900 3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 4.4160 2.9090 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 3.5140 3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -1.0400 3.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 0.1900 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 0.0180 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 1.2980 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.3410 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -4.1050 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 -4.6420 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -3.4440 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 1.4090 7.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 1.0270 6.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 3.3810 6.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 3.9000 6.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 5.4060 8.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 5.1350 8.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 6.0600 10.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 4.7550 10.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 2.2660 10.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 2.5110 10.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 2.7970 8.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 1.4730 8.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 0.7890 3.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 2.4140 3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 4.7330 2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 3.9120 3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 1.6160 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 3.3670 8.3000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0990 3.1080 8.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 33 2 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 57 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 32 56 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END