IBS-ZINC02206729 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.9740 -0.0480 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -0.5320 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -0.1720 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 0.6810 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 1.1520 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 0.7850 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 1.9510 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8850 1.4950 -0.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 3.1440 0.6430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 4.0180 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 5.4560 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 6.3210 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7260 6.4840 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 5.9440 -2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7410 6.3230 -2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7370 7.2210 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7540 7.7660 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 7.3790 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5130 7.7450 0.8990 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0640 8.3860 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4040 7.1120 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 7.3260 2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 6.6490 3.1970 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7530 5.5310 -4.8820 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 1.0730 -2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 2.2870 -2.7950 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5710 -0.3330 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 -1.1900 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -0.5530 -2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 1.1230 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 3.4270 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 3.9810 1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7990 3.6230 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 5.4470 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 5.8900 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 5.2400 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5180 7.5120 -3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5280 8.4630 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 8.1880 3.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 0.1660 -3.5150 O 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 25 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 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 2 0 0 0 0 25 26 1 0 0 0 0 25 40 2 0 0 0 0 M CHG 1 23 -1 M CHG 1 26 -1 M END