IBS-ZINC04312189 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 1.9900 -1.9580 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -1.6640 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -2.4150 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -2.1430 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -1.1130 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -0.3560 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.6220 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 0.1880 -2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 1.5570 -2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 2.5500 -3.4450 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0010 2.3210 -4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 3.8720 -2.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 3.7370 -1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 4.6510 -0.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 2.3050 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 1.8600 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 5.1370 -3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 5.7290 -3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 6.5950 -2.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 7.1160 -2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 6.7580 -3.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 5.9320 -4.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 5.4220 -4.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 2.5100 -4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 1.8330 -5.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 1.7970 -5.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 2.4360 -5.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 3.1120 -4.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 3.1450 -3.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.4060 -3.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -2.8870 2.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -2.5550 3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -2.7450 -2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -1.0570 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -2.2850 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -3.2160 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -0.9070 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 0.4430 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 5.8310 -3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 4.9540 -4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 6.8560 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 7.7920 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 7.1600 -3.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 4.7530 -5.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 1.3340 -5.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 1.2690 -6.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 2.4080 -5.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 3.6120 -3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 3.6700 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 0.2070 -4.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -2.6630 2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -3.2240 4.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -1.5250 3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 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 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END