IBS-ZINC02118659 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0640 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -2.5850 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 -2.9160 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -3.4020 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -3.6950 -2.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4450 -3.5510 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 -3.2410 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 -2.7550 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 -2.4390 2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 -2.6080 3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9690 -3.0910 3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -3.3990 2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9880 -3.9230 2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6750 -3.2560 4.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 -3.2760 6.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -2.1200 6.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -2.2670 4.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -1.9640 7.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -1.8310 8.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 -1.6780 9.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -1.6550 9.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -1.7880 8.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -1.9470 7.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.4890 11.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -1.3730 12.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -1.4680 11.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -1.3010 12.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.4150 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -2.4250 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -2.8060 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -2.0620 2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9740 -5.0100 2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5440 -3.5080 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4700 -3.6300 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 -3.2120 6.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 -4.1980 6.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -3.0640 5.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -1.3310 4.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 -1.8480 8.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 -1.5740 10.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -1.7710 8.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -2.0540 6.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.3560 12.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -2.1230 13.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -1.3010 12.4930 H 0 0 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 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 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 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 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 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END