IBS-ZINC05489074 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.5980 0.5420 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -0.8670 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -1.3890 -1.3410 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7610 -1.3960 -2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -2.8860 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -3.2500 -1.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -0.4840 -1.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 0.2520 -2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 0.2130 -3.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 1.0890 -2.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 1.9780 -2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1180 2.3990 -4.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 2.8600 -5.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1610 3.1960 -6.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 2.9450 -5.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 2.4950 -4.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 3.0610 -6.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 2.4740 -5.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 2.5790 -6.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 3.2710 -7.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 3.8580 -8.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 3.7490 -7.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 4.3340 -8.2900 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 0.7630 -0.3860 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -0.3340 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -1.0020 1.4560 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 1.2760 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 0.6030 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 0.8280 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -0.8900 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -1.5340 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3590 2.4480 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 2.9340 -5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 3.5710 -7.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 1.9160 -4.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 2.1120 -6.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 3.3510 -8.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 4.4010 -9.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -3.5700 -0.5020 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