IBS-ZINC04888343 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 0.1750 1.4120 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 1.8230 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 2.2090 -2.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 1.8440 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 2.2930 -2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 2.3320 -1.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 2.7440 -2.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 1.8640 -0.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 1.4610 0.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7160 2.0990 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -0.0060 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -0.3520 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -1.6900 2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -2.6990 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -2.3800 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 -1.0390 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -4.1000 1.6260 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4240 -4.3340 2.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -4.9720 0.7460 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.4690 1.8020 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2940 0.5300 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4910 0.4800 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2620 -0.8330 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4430 -0.9200 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2340 -2.2340 1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8360 -3.0780 1.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 2.5910 -3.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 0.4550 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 2.1630 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 1.3140 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 0.4210 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -1.9200 3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 -3.1530 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 -0.8110 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1340 1.8990 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0980 2.6710 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6440 0.4760 -0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6710 -0.3540 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1390 0.5790 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1580 1.3280 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6210 -0.9280 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5820 -1.6760 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0830 -0.8040 3.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1400 -0.0970 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 2.0150 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1970 -2.3070 2.7820 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 46 -1 M END