IBS-ZINC04817183 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 0.1250 1.3130 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -0.1090 -0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -0.9250 0.9620 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -0.3880 2.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -2.6880 0.8540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5770 -3.0610 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -2.8480 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -2.8960 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 -3.0430 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -3.1430 1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -3.0970 2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -2.9540 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2760 -3.2990 1.8890 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.0650 -3.3400 0.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -3.3880 3.0350 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1130 -3.4490 1.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -4.2200 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -5.0600 2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -5.8220 1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 -5.7490 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 -4.9140 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -4.1540 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -0.7670 0.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 0.4840 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.6190 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 1.6310 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 1.7740 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -2.8170 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -3.0790 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -3.1750 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -2.9220 3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -3.4170 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -5.1170 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -6.4740 2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2150 -6.3460 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -4.8600 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -3.5050 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 0.3380 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 1.1890 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 0.8790 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 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 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END