IBS-ZINC02726691 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 0.1910 1.6130 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 0.1180 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.5830 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -1.9790 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -2.6980 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -1.9970 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -0.6010 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -4.1460 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -4.9380 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -6.2540 0.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 -6.3190 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -5.0430 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -4.9200 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -6.0720 -2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -6.0190 -3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -7.1670 -3.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7630 -8.4910 -3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 -9.5410 -3.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -8.5050 -2.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -7.3170 -1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -7.4880 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -7.2500 -4.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 -7.2560 -6.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -7.5120 -6.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -6.9500 -7.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 -6.8750 -8.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4660 -6.2370 -9.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1680 -6.1210 -10.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 -6.6040 -11.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -4.6560 -3.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 1.9090 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 2.0350 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 2.0490 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -0.0450 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -2.4910 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -2.5280 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.0770 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -4.7330 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -3.9230 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -8.4650 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 -8.1520 -4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 -6.4160 -4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 -6.7840 -6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 -6.3050 -8.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 -7.8980 -8.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3870 -6.8210 -9.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6700 -5.2310 -8.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 -4.1230 -4.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 -4.6890 -4.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 -4.0590 -2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0770 -5.5440 -11.4700 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 22 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 20 21 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 M CHG 1 51 -1 M END