NIH-ZINC03958439 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 66 0 0 0 0 0 0 0 0999 V2000 1.7590 0.9240 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -0.3100 0.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -1.1200 1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -2.2880 1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -2.7620 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -3.8090 0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -1.9020 -0.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -2.1740 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -0.7010 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -0.0510 -1.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -2.7970 2.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -1.9130 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -0.8830 2.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -2.0420 4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -1.4740 5.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -0.3000 5.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 0.5210 6.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 0.9550 6.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -0.2300 6.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 0.9310 7.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2950 1.0770 8.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 1.4950 9.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5680 1.7750 9.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8370 1.6440 7.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8220 1.2240 6.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 2.1770 9.9200 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.0280 3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -5.2610 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -6.5340 3.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -7.0620 2.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 -8.2330 2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -8.8850 3.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -8.3650 4.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -7.1930 4.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 0.6940 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 1.4450 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 1.5810 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -1.8610 5.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -3.0190 5.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 -1.9800 4.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9780 -2.1950 5.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8400 -0.7280 5.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 0.3320 4.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 1.4760 7.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 1.6820 5.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 -0.9430 7.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 0.1260 6.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 0.8380 9.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1090 1.5950 10.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8280 1.8740 7.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0560 1.1600 5.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -3.9470 4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -4.0760 2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -5.2830 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -5.2160 3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -6.5660 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -8.6370 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -9.7980 4.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -8.8760 5.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 -6.8080 5.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -0.9760 5.2280 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3010 -0.3060 4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 61 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 61 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 61 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 32 33 2 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END