IBS-ZINC06759121 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 0.3410 1.6010 1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 0.3470 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -0.3440 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 0.2670 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 1.5220 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 2.1980 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 1.8150 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 0.7560 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 -0.1720 -0.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -1.0530 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 3.0210 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 3.2080 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 4.5600 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6770 5.5660 0.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7380 4.5350 0.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 3.3510 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0670 2.0670 0.0610 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6080 3.0820 0.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5860 4.1830 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4760 4.0780 1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1200 1.5900 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2240 1.7490 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1300 2.5690 2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2410 1.6390 2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4300 1.9140 0.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2290 1.4210 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 2.1220 2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -0.1000 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -1.3190 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 3.1760 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 0.5770 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 3.9070 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2020 4.1280 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1060 5.1670 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2710 4.8300 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8970 4.1870 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 1.6380 2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6690 0.6440 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 0.9360 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8250 1.6270 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6140 2.2140 3.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5470 3.5650 2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1730 1.8180 2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9540 0.5890 2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1400 2.7140 1.6030 N 0 3 0 0 0 0 0 0 0 0 0 0 12.7710 2.6180 0.7760 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 45 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END