IBS-ZINC05345484 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 0.3350 2.2270 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 0.8640 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 0.2060 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 0.9430 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 2.3070 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 2.9670 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 4.4340 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 5.0550 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 6.4980 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 7.3300 0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 6.8200 1.3510 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 5.8560 1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 6.0080 2.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 4.3140 1.5180 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -1.2690 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -1.9100 -0.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -1.9030 -0.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -3.2830 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -3.9360 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -5.3030 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -6.0370 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 -5.4030 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -4.0180 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 -3.3340 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1090 -2.1480 0.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -7.3840 -1.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 2.7350 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 0.2930 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 0.4340 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 2.8760 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 5.0180 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 7.7500 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 -1.3990 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -3.3720 -1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -5.8050 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 -5.9760 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -7.6560 -2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2950 -4.0240 0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0380 -3.5330 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 26 37 1 0 0 0 0 38 39 1 0 0 0 0 M END