IBS-ZINC00546312 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 1.4580 2.1640 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 0.7140 -0.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0120 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 0.3770 2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -0.5930 3.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 -1.9290 2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -2.3080 1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -1.3420 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -1.4070 -0.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -0.2020 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 0.1180 -2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -0.7290 -3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -0.2120 -4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.0680 -4.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 1.6450 -3.0460 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 1.8420 -5.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 1.4110 -6.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 3.0290 -5.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 3.5340 -4.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 3.7790 -6.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 4.9160 -6.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 5.6550 -7.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 5.2620 -8.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 4.1300 -9.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 3.3910 -8.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 2.6300 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 2.3830 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 2.5590 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 1.4150 2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -0.3100 4.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -2.6770 3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -3.3510 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -1.7280 -3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -0.7700 -5.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 4.0330 -3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 4.2420 -4.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 2.7020 -3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 5.2230 -5.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 6.5390 -7.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 5.8410 -9.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 3.8260 -10.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 2.5090 -8.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END