IBS-ZINC04899271 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.5770 0.4370 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -1.0540 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -1.2130 0.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -2.4760 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -3.4160 1.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -2.7070 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -3.9550 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -4.1770 -0.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5660 -3.2040 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6940 -3.4990 -0.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 -1.9080 -0.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 -1.5630 0.2490 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4980 -0.8590 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 -0.8560 1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4050 0.4140 1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 1.0530 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 2.2840 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 2.9230 2.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 2.3340 3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 1.0640 2.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 0.4260 4.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 -0.8030 3.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 -1.4440 2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 -2.6710 2.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 -5.5560 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -5.1220 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 0.5580 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 0.9000 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 0.9140 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -1.5310 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -1.5170 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9440 -1.2190 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 0.5700 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 2.7730 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 3.9000 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 2.8420 4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 0.9120 5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 -1.2900 4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -3.4060 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3490 -6.0390 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9300 -5.5540 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -6.1020 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -5.1910 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 -6.0420 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -4.9780 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END