IBS-ZINC04827939 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 0.0950 1.3740 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -0.0060 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -0.7160 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -0.0570 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 1.3220 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 2.0550 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 3.5490 -0.0610 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2570 3.9700 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 3.9710 -1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 6.0860 -2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 7.6030 -2.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 8.3250 -4.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 7.7600 -4.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 6.2510 -4.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 5.5360 -3.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 6.0140 -5.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 6.5720 -5.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 8.0800 -4.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 5.8580 -3.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 4.2040 0.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.1610 0.8190 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4820 -2.6930 1.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 -2.7610 0.3410 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7750 1.9110 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -0.5010 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -0.5940 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 1.8220 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.4460 -2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 3.8320 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 8.0200 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 7.7900 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 9.4000 -3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 8.2760 -5.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 7.9450 -4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 5.8550 -5.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 5.6850 -2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 4.4590 -3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 6.4980 -6.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 4.9410 -6.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 6.4050 -5.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 8.4940 -4.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 8.6020 -5.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 4.7880 -4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 6.2360 -3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 3.7320 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 5.4440 -1.6060 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3750 5.9690 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 5.5200 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 19 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 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 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 46 1 M END