NIH-ZINC06530608 MOE2007 3D CORINA 3.40 0006 02.08.2006 75 79 0 0 1 0 0 0 0 0999 V2000 -1.2110 -2.1460 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -1.8900 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -0.4170 1.0950 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2140 0.1750 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 -0.2590 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 -0.4900 2.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 -0.2270 1.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 0.1530 0.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 0.1330 -0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 0.5000 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 2.0030 -1.4620 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0880 2.5670 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 2.4570 -2.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 2.4440 -2.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 2.8860 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 2.3080 -0.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -0.5330 3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -0.7350 4.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -1.9630 6.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -2.8070 8.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -2.0940 8.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -1.7920 7.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -0.8910 6.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 1.6350 2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 2.2390 3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 3.2410 4.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 3.7840 5.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 4.8210 5.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 5.3230 6.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 4.7970 6.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 3.7650 5.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 3.2610 4.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3350 2.2040 4.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 1.6460 3.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 0.6440 2.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 6.4570 7.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -1.4430 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -3.1600 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 -2.0640 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -2.5650 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -2.1890 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 0.1890 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -0.0840 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 3.4850 -3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 1.8400 -3.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 3.0930 -3.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 1.4220 -3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 3.9750 -1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 2.5530 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 0.1100 4.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -1.5100 3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 0.2120 5.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -1.2750 4.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -2.5230 6.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -1.0270 7.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -3.0340 8.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -3.7600 7.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -1.2780 8.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -2.7240 7.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 0.0570 7.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -0.7100 6.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 1.9650 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 1.9570 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 3.6940 4.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 5.2470 6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 5.1930 7.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1260 3.3690 5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 1.8180 4.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 7.4130 7.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 6.4100 8.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 6.4150 8.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.0970 2.4010 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9980 -0.1240 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -1.5740 5.9320 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3980 -2.4590 5.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 72 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 72 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 18 74 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 74 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 74 1 0 0 0 0 24 25 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 72 1 0 0 0 0 25 26 2 0 0 0 0 25 34 1 0 0 0 0 26 27 1 0 0 0 0 26 64 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 65 1 0 0 0 0 29 30 1 0 0 0 0 29 36 1 0 0 0 0 30 31 2 0 0 0 0 30 66 1 0 0 0 0 31 32 1 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 34 35 2 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 72 73 1 0 0 0 0 74 75 1 0 0 0 0 M CHG 1 72 1 M CHG 1 74 1 M END