IBS-ZINC04090592 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.8870 1.9120 1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 0.4060 1.7280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4450 0.2030 2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -0.4370 0.5720 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4740 -0.1570 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -0.2180 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -1.2400 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -1.8750 0.9140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -2.4730 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -1.8860 2.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -3.9440 2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -4.1240 2.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -5.5300 3.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -6.2920 4.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -5.9370 4.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -7.6900 4.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1720 -7.8630 5.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -8.7840 3.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -10.0510 3.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -11.2820 3.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -12.4580 3.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -12.4130 2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -11.1930 2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -10.0020 2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -8.6980 2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -7.5570 2.9770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -6.2770 2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -5.9000 1.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 0.0020 2.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 0.6250 2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 2.2250 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 2.4410 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 2.2450 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.3940 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 -4.4080 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 -4.4250 2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -3.6500 3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -3.6480 2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -8.4720 3.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -8.9740 4.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -11.3340 4.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -13.4090 3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -13.3310 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -11.1780 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -8.5520 1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -8.7190 3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 0.9030 -1.3240 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 47 1 0 0 0 0 8 9 1 0 0 0 0 8 34 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 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 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 18 1 0 0 0 0 16 26 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 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 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 47 -1 M END