IBS-ZINC04090478 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 0.2140 1.2400 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 1.0620 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 1.1390 3.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 2.5260 3.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 2.9030 4.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 4.1650 4.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 5.0610 3.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 4.6820 2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 3.4120 2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 3.0520 1.2850 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2600 3.5220 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 3.5380 0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 4.1850 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 4.7720 -1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 5.4040 -2.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 4.9190 -2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 4.2690 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 5.5550 1.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 6.4150 1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 6.2250 4.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 6.1760 5.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 4.7660 5.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 0.1570 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 1.7090 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 1.5880 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 1.6560 2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 0.0240 2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 0.4190 3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 0.9030 4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 2.2070 5.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 3.4090 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 4.7310 -1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 5.8600 -3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 4.9880 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 3.8310 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 7.0580 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 7.0290 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 5.8120 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 6.6430 6.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 6.6580 5.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 1.5980 1.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 5.4580 -2.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 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 22 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 42 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 16 42 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END