NIH-ZINC06578075 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 1.8450 1.2310 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -0.1900 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -0.9410 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -2.2250 1.8080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -3.4080 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -4.5370 2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 -4.5020 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -3.3650 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -2.1650 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -0.5660 2.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -1.3370 2.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 0.7930 3.2800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3650 1.1910 4.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 1.9760 5.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 2.5830 5.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 1.8680 5.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 0.9630 4.3870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8170 1.4930 3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -0.3160 5.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -1.1810 5.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -2.3520 6.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -2.6650 6.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 -1.8280 5.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.6550 4.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 -3.7880 6.8010 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 2.5660 6.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 1.8750 7.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 2.7050 8.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 0.7870 10.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 3.0830 11.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 1.0140 3.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 1.8860 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 1.4200 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 1.5010 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -3.3790 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -5.4750 2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -5.4250 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 -3.3380 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -0.9610 5.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -3.0230 6.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 -2.0950 5.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 -0.0150 4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 2.6550 6.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 3.5770 6.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 1.7130 8.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 0.8870 7.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 2.7690 8.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 3.7160 8.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 0.9310 10.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 0.0570 9.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 0.4560 11.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 3.9840 11.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 3.3080 11.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 2.6250 12.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 1.5730 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 2.1040 10.2030 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4460 1.9260 10.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -0.9530 0.5770 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 58 1 0 0 0 0 3 4 1 0 0 0 0 3 10 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 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 58 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 13 31 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 56 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 56 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 56 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END