IBS-ZINC04089404 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 -0.1730 1.5310 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 0.0320 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -0.6600 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -2.0540 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -2.7740 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -2.0920 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -0.6990 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.0180 -2.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -0.6670 -3.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 0.0920 -4.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -0.5280 -5.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -1.9200 -5.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -2.6750 -4.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -2.0480 -3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -2.8270 -2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -4.0520 -2.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -4.0380 -4.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 0.3370 -6.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -0.2310 -8.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 0.9140 -9.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 1.3850 -9.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 1.9660 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 1.8440 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 1.9390 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.1150 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -2.5750 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -3.8590 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 1.1750 -4.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -2.4390 -6.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -4.4030 -4.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -0.7800 -8.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -0.9020 -8.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 1.2300 -9.8610 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 M CHG 1 33 -1 M END