IBS-ZINC02130501 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 0.0400 1.2680 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -0.1210 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -0.6980 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 0.1200 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 1.5120 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0990 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 3.6020 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 4.2730 1.7580 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 5.9800 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 6.4910 0.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 7.8390 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 8.9060 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 8.7540 -1.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 10.1600 0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 10.9470 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 10.3750 1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 9.4070 2.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 8.1640 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 6.9540 2.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 6.8080 3.8630 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0310 7.7960 4.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 6.2350 4.3160 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1730 5.9170 3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 4.9550 5.0790 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3020 4.0770 4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 5.2020 5.4660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6740 5.8250 6.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 5.9410 4.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 3.9090 5.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 4.2040 6.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 4.8960 5.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 4.7580 6.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 5.6630 6.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 7.0530 5.1880 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1500 11.6730 1.7990 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 -0.5240 0.0740 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -2.4230 0.1860 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.7010 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -0.7470 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 2.1450 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 4.0460 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 3.8750 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 3.3170 4.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 3.2990 6.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 12.4620 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 11.8560 2.7910 H 0 0 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 38 1 0 0 0 0 2 3 2 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 32 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 35 45 1 0 0 0 0 35 46 1 0 0 0 0 M CHG 1 34 -1 M END