IBS-ZINC05396226 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 0.1300 1.1510 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.2780 -0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -0.8690 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -0.0850 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -0.6770 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -2.0700 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -2.8590 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -2.2530 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -4.2130 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -4.9520 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9510 -2.7080 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -3.9810 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 -4.2900 0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2700 -3.1100 -0.3120 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2870 -1.9830 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5920 -2.9550 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6140 -2.8740 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8100 -2.7460 -0.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9830 -2.9680 -1.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6500 -3.1040 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8820 -3.2060 -2.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6590 -2.9270 -3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5120 -3.9610 -3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1770 -3.9190 -4.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9920 -2.8450 -5.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1400 -1.8130 -5.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4790 -1.8490 -3.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6430 -2.8060 -6.6920 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.4930 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 1.5130 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 1.5360 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 0.9910 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 -0.0650 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -2.8570 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -6.0190 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -4.7110 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -4.6880 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4970 -1.5730 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3110 -1.2000 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7800 -3.8220 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5940 -2.0380 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6570 -4.7980 -2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8410 -4.7230 -4.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9970 -0.9770 -5.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8180 -1.0420 -3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 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 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 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 19 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END