IBS-ZINC02138246 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.3350 1.6980 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 0.3280 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.5570 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -0.0760 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 1.3040 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 2.1870 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.0240 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 -1.3210 -1.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1940 -0.3580 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 -1.9710 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6440 -3.1780 -1.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 -1.0710 -1.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9040 -1.4010 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7330 -0.1530 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0330 0.8990 -0.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -2.1230 -2.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 -3.3160 -1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -4.0500 -2.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -3.6100 -3.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -4.3690 -3.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -3.9680 -5.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -2.8040 -5.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -2.0390 -5.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 -2.4470 -3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -1.6520 -3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -0.6410 -3.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 2.3860 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -0.0520 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -1.6230 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 1.7010 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 3.2530 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -0.5720 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -1.9430 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 -0.0690 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -2.1860 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2290 -1.7860 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -3.6410 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -5.2790 -3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -4.5660 -5.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -2.4940 -6.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -1.1290 -5.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -0.3330 -0.4740 O 0 5 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 42 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 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 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 42 -1 M END