NIH-ZINC04056861 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 1 0 0 0 0 0999 V2000 0.5910 0.1280 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -0.4830 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 0.1300 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 1.3520 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 2.0040 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 1.3520 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 3.2180 -0.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 3.5190 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7170 3.9720 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 4.7100 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 4.2760 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 5.6290 0.4170 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4940 4.7680 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 6.8270 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2370 7.4020 1.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1820 6.6680 2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9940 5.5000 2.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4700 7.4340 2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3240 6.7130 3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6460 7.4350 4.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4260 7.6300 2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 8.3420 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2590 7.6310 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9160 5.9990 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0970 5.2960 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8870 5.6540 -2.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 6.7110 -2.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3410 7.4160 -2.6980 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 7.0500 -1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 1.8790 2.1950 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -0.3430 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -1.4330 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -0.3350 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 1.8110 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 2.6520 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 4.3100 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 3.1610 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 4.3160 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 5.5740 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 3.9010 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 5.1340 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 3.9970 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 7.6390 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 6.5080 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4400 8.3670 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1890 8.4190 3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7700 6.6350 4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5320 5.6840 3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4500 8.4120 4.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2520 6.8630 4.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3360 8.2060 2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7440 6.6530 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3940 9.3730 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1510 8.4020 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4490 6.6560 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6720 8.2090 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4170 4.4730 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8080 5.1250 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0520 7.0300 -3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 7.6570 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 5.1380 -0.0030 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1550 5.9120 -0.4760 H 0 0 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 9 61 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 61 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 12 61 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 27 28 2 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 29 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END