IBS-ZINC02113290 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.1620 1.6180 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 0.2430 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -0.6640 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -0.3100 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -1.2210 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -2.5100 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -2.8730 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -1.9540 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -2.4030 0.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -1.5750 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 -1.9770 1.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -0.2000 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 0.6190 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 0.5740 -1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 -0.3970 -2.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 1.7260 -1.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 2.5310 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 1.9450 -2.9100 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7690 1.5580 -3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7750 1.2150 -2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 0.1080 -3.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1410 -0.6020 -3.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1860 -0.2070 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0470 0.8830 -2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8440 1.5910 -2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3750 -0.8770 -2.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3450 -1.5740 -3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 3.4640 -3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 4.1880 -2.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1630 -3.4890 0.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4880 -3.1750 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 1.5470 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 2.2230 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 2.1810 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 0.6810 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -0.8880 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -3.8720 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 0.2560 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 1.6530 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 -0.2140 -4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2350 -1.4570 -4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8680 1.1800 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7410 2.4390 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 -4.0610 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 -2.9400 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 -2.3590 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8370 3.7980 -4.3880 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 30 31 1 0 0 0 0 31 44 1 0 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 M CHG 1 47 -1 M END