IBS-ZINC02131042 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 1 0 0 0 0 0999 V2000 -0.0270 1.3910 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -0.1310 0.1610 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0140 -0.4860 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 0.1490 1.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0560 -0.1380 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 1.6480 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 2.4290 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 3.8070 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 4.4090 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 3.6250 2.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 2.2470 2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 1.4760 2.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 1.2100 4.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 4.4420 2.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 5.6960 2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 5.7190 1.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 1.8230 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 0.3900 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 -1.7820 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -0.7190 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -0.8660 1.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -1.1260 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -1.6890 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -2.2280 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7850 -1.8760 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7670 -1.1370 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 -0.5610 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -0.6750 -1.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -2.0090 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -2.7590 -0.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 1.8060 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 1.6430 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 1.8070 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -0.1070 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -1.5690 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 4.4150 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 2.1500 4.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 0.5870 4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 0.6900 3.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 5.7210 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 6.5300 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 1.8170 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 2.4180 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 -0.1000 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 0.4030 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -2.2860 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 -1.9990 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -2.1380 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 -0.2560 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -1.8870 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 -2.4750 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 -1.7500 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 -3.3080 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1970 -1.2280 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3790 -2.7870 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5030 -0.3320 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 -1.8330 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 -0.3880 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 0.3560 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -0.0750 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -2.4100 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 -0.3330 -0.1760 N 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 20 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 62 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 37 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 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 62 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 62 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 M END