IBS-ZINC02110554 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 0.6250 1.0520 2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 1.7800 3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 2.4050 3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 3.8380 3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 4.7540 3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 6.0720 3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 6.5100 2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 5.6290 1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 4.2560 2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 3.2350 1.6850 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4440 3.5720 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 3.1140 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 2.4900 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 1.3760 0.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 3.2870 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 2.7360 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5500 3.7040 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 3.6110 -2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9510 4.5210 -3.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4200 5.5220 -2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 5.6430 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0350 4.7300 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5310 6.6820 -0.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0790 6.8590 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3430 6.4080 -2.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 5.9420 1.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 7.3070 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 7.8550 2.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 8.2100 3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2470 7.0720 3.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 0.0310 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 1.5530 2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 1.0340 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 2.3160 4.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 0.7310 3.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 1.8500 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 2.3540 4.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3480 4.4530 4.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 4.0770 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 2.4730 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 4.3240 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 3.2730 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6080 1.7730 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 2.5210 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6450 2.8280 -3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3150 4.4510 -4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6620 4.7880 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5970 7.7280 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3310 5.9920 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0040 7.0670 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5280 7.0060 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 7.3580 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 7.6860 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 7.9230 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 8.9050 3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 8.7160 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 1.8100 2.2860 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3480 1.2920 1.6750 H 0 0 0 0 0 0 0 0 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 1 57 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 2 57 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 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 57 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 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 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END