IBS-ZINC02139833 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 0.1390 0.8360 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -0.5370 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -1.0770 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -0.2450 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 1.1330 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 1.6700 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1040 -0.8250 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.0000 -1.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6010 -1.5560 -1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3990 -1.8970 -0.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 -1.6980 -2.9290 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 -1.3680 -3.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 -2.2910 -5.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8580 -2.3720 -4.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0800 -2.2560 -3.4420 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2360 -3.2350 -2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2590 -1.3130 -3.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1950 -0.0920 -3.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4070 -1.9840 -2.8090 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6510 -1.2980 -2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7210 -2.3130 -2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4150 -2.9160 -3.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3080 -3.9590 -3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5240 -4.4250 -1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8420 -3.8010 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9460 -2.7590 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4540 -5.5850 -1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9570 -6.1610 -2.5160 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8600 1.2550 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -1.1880 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 -2.1500 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 1.7950 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 2.7400 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -0.1420 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -1.7880 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 -1.5180 -3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 -0.3150 -4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 -3.2870 -4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -1.9250 -6.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2650 -3.3060 -5.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3340 -1.5480 -5.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3970 -2.9930 -2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9110 -0.6780 -3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5030 -0.6240 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2440 -2.5990 -4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8290 -4.4300 -3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -4.1480 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4040 -2.3200 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6670 -5.9050 -0.2870 O 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 2 0 0 0 0 M CHG 1 28 -1 M END