IBS-ZINC04843849 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -2.0960 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -2.6950 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.7950 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -2.1790 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -0.7730 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -0.1310 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -0.8720 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -2.2640 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -2.9160 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -2.9870 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -2.2540 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1270 -3.2320 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0750 -5.1080 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9290 -5.9710 2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1780 -5.1080 3.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1920 -3.9360 3.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3600 -3.1320 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -0.1490 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 0.9480 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -0.3760 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -3.9960 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 -1.6320 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -1.6220 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0610 -2.6760 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0420 -3.9130 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8850 -5.7160 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0870 -4.7050 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6560 -6.7830 2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9220 -6.3850 2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1980 -4.7250 3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0320 -5.7090 4.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3920 -3.2940 4.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 -4.3180 3.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3750 -2.7380 2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6490 -2.3050 2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1100 -4.0020 1.3420 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 M END