IBS-ZINC02287983 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 0.2300 1.2740 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -0.1460 -0.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -0.7450 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 0.0330 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -0.5370 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -1.9290 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -2.7180 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -2.1000 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5270 -4.1110 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 -4.6590 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 -3.8040 0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6800 -2.5040 0.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4390 -4.4970 0.7960 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.3720 -3.0220 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0700 -2.4570 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8010 -1.3010 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8390 -0.7070 1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1450 -1.2670 2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4170 -2.4250 2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -6.1060 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 -6.8700 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -8.3340 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 -9.0540 -0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -8.8130 -1.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -7.9670 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -8.3860 -3.1960 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -6.3280 -1.7680 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 1.6230 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 1.7400 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 1.5430 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 1.1030 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 0.0790 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.6920 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -4.7370 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0400 -2.9200 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3430 -0.8610 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4110 0.1970 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1760 -0.7990 3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8790 -2.8640 3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 -6.5640 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -9.7710 -1.5860 H 0 0 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M END