IBS-ZINC04747571 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.6620 0.5560 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -0.8230 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -1.3750 -1.2580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7660 -1.4470 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -2.8510 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -3.2290 -1.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -0.4530 -1.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 0.2220 -2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 0.1190 -3.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 1.0810 -1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 1.9200 -2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 2.2410 -4.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 2.4750 -5.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 2.7840 -6.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 2.7590 -5.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 2.4530 -4.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 2.9590 -6.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 2.1410 -6.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 2.2650 -6.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 3.2120 -7.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 4.0360 -8.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 3.9160 -7.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 5.0250 -8.0770 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 0.8560 -0.3020 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 -0.2300 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -0.8080 1.5780 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 1.3120 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 0.5520 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 0.8610 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -0.7800 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -1.5080 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 2.4220 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 2.4070 -5.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 2.9870 -7.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 1.3860 -5.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 1.6180 -6.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 3.3110 -8.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 4.7790 -8.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -3.5080 -0.3100 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 24 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 16 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 39 -1 M END