IBS-ZINC05487112 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 0 0 0 0 0999 V2000 -0.0650 1.3590 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -0.1100 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -1.0450 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -2.2970 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -2.0780 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.7190 -0.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -3.0550 -1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -2.8090 -3.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -3.9340 -4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -5.0950 -3.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -3.4710 -5.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -2.0980 -5.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -1.1750 -6.9270 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -1.3200 -3.9500 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -4.4680 -6.4890 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1210 -5.4550 -6.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -4.5610 -7.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -5.0030 -6.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 -4.1180 -5.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -4.3360 -7.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -4.0250 -6.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 1.6560 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 1.8130 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 1.7630 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -0.8520 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -3.2640 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -4.0920 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -3.6110 -7.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -5.2840 -8.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 -6.1910 -6.3700 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0070 -4.5710 -8.6540 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 27 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 M CHG 1 30 -1 M CHG 1 31 -1 M END