IBS-ZINC06759229 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 43 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3850 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -0.6930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0110 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4240 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.1010 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 2.1340 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 3.4010 -0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 3.4950 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8670 2.2950 -0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 1.3810 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 0.0150 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -0.6330 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2290 -0.9120 -0.0610 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 4.7850 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3820 5.1850 1.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 6.3370 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5030 7.0570 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2200 8.2400 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5210 8.7120 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1040 7.9990 2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3700 6.7980 2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9660 6.1200 3.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2310 6.5440 5.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9430 7.7200 5.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3950 8.4560 4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5500 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -1.7730 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 3.1810 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 -2.2220 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0680 4.6370 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 5.5590 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2780 6.7040 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5430 8.7900 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0780 9.6300 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 5.9680 5.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1460 8.0440 6.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 9.3700 4.4060 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 13 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 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M END