IBS-ZINC05249863 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 39 0 0 1 0 0 0 0 0999 V2000 -0.6470 1.0620 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -0.2380 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -0.7460 0.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6720 0.0950 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -1.4700 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -2.1610 -1.8310 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -2.4550 -1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -3.3650 -2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -3.6990 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 -3.1370 -1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2820 -2.2580 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -1.9270 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -1.1150 0.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -1.3700 -1.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -1.8780 1.3840 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -0.7300 2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -1.0530 3.9520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -0.0580 4.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -0.1480 6.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 0.9880 7.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 2.2410 6.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 2.3520 5.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 1.2110 4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.0180 2.5450 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 1.7560 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 1.4330 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -3.8090 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -4.4010 -3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 -3.3860 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -1.8180 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -1.1700 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -1.8530 -2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -1.1160 6.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 0.9060 8.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 3.1280 7.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 3.3290 4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 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 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 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 M END