IBS-ZINC04718584 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.0900 1.4780 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -0.0520 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -0.5120 1.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -1.8570 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -2.3730 2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -3.7400 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -4.5950 1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -4.0830 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -2.7160 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -6.0860 1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -6.5870 2.5280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1420 -6.0370 3.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -8.0700 2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -8.5580 3.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -8.7910 2.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -8.1880 1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 -8.7880 0.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -10.1510 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 -10.7870 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -12.1670 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 -12.8740 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -12.1840 1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -10.8660 1.5920 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -6.4420 1.5330 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 1.8440 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 1.8280 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 1.8500 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -0.4190 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.4240 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -1.7060 3.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -4.1420 3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -4.7530 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -2.3170 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -6.5750 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -6.3200 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -9.7540 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 -10.2070 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8310 -12.6860 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 -13.9540 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -12.7330 2.1400 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 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 M END