IBS-ZINC05024769 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 0.0280 1.5270 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -0.0030 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -0.5080 1.2180 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7690 -0.0670 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -2.0330 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -2.5270 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 -4.0280 2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -4.6420 1.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -4.6890 3.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -6.0900 3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -6.7820 2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -8.1640 2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -8.8590 3.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -8.1760 4.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 -6.7900 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -8.9010 0.7230 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5540 -8.2900 -0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 -10.1190 0.7200 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0020 -0.1160 2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 0.5050 2.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 1.8980 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 1.8880 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 1.8860 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -0.3730 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -0.3620 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -2.4780 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -2.3210 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -2.0820 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -2.2390 3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 -4.1940 3.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 -6.2420 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -9.9380 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 -8.7220 5.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -6.1170 5.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -0.4560 3.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -0.1820 4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -5.9420 5.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END