IFLAB-ZINC02685055 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 3.8730 -2.7490 2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 -2.8900 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -1.9540 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -1.9610 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -0.9720 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 0.0440 -1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 0.0860 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 -0.9260 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -0.7720 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -1.7150 1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 0.4300 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1130 0.9230 0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 0.8970 -0.7120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -3.2150 -0.0670 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -2.9040 -0.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -4.4550 -0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -3.0430 1.4770 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -1.8220 1.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -2.0650 3.1680 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7840 -2.9310 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 -0.8520 3.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -0.8410 3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 0.2720 3.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 1.3740 4.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 1.3620 4.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 0.2470 4.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2990 2.5660 4.4340 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.4900 2.5760 4.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 3.5360 4.9540 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2000 -2.3080 4.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 -3.4700 2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -3.7090 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.9790 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 0.7990 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7010 -1.6490 2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 1.6840 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -3.7500 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -1.0130 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -1.5500 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -1.7010 2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 0.2820 3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 2.2220 4.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 0.2360 4.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -1.5780 4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 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 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 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 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 44 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END