IBS-ZINC04090688 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 2.9240 0.1910 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 0.7560 1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -0.2410 1.2130 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3940 -1.2410 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 0.1560 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -0.2320 2.3110 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9400 -0.8540 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -0.7770 3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -0.0370 4.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -2.0870 3.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -3.0760 2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -4.1970 2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -4.2460 4.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -2.7650 4.8900 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2280 -2.3110 5.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -2.6650 5.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -2.0870 5.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.1400 2.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 1.6170 1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 0.8820 1.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 2.9090 1.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 3.8190 2.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 4.6810 3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 5.0970 4.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 4.9940 3.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 4.4860 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 3.4310 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 2.9160 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 3.4550 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 4.5040 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 5.0190 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 -0.8230 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 0.8190 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.1740 3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 1.6980 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 0.9260 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 0.0600 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -0.4980 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 1.1890 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -3.4720 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -2.6250 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -5.1460 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -3.9250 2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -4.8530 4.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -4.6230 4.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 1.7060 3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 3.2380 3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 4.4510 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 5.5780 3.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 2.0980 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7870 3.0550 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 4.9210 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 5.8380 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -3.2180 7.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -3.1290 7.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 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 54 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 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 49 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 54 55 1 0 0 0 0 M END