IBS-ZINC00171188 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 1 0 0 0 0 0999 V2000 -0.0740 1.6000 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 2.0110 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 1.2490 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 0.0550 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -0.3290 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 0.4320 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 -0.7110 -0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 -0.1310 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 1.0580 0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8310 -1.2270 -0.0930 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3360 -1.3020 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 -2.3750 -0.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -2.0890 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -3.3300 -0.2640 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -1.0640 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 -2.2040 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3780 -3.3400 -0.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 2.1910 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 2.9240 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 1.5980 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -1.1990 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 0.1130 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -3.2960 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2790 -1.0690 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3210 -0.1020 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 -1.8710 -1.6010 O 0 5 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 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 22 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 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 M CHG 1 26 -1 M END