IBS-ZINC03851892 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.3890 1.5730 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 0.0800 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -0.1320 1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -0.5360 -0.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3370 -0.1480 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 0.9980 0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -1.2860 1.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -2.3070 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 -3.7090 1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -4.2280 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 -5.5310 1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -6.2750 2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 -7.5890 2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -8.3070 3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -7.7190 2.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -6.4110 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -5.6710 2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -4.4150 1.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 -3.5050 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 -3.0530 -0.1240 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3290 -0.2850 -1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 1.9570 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 1.7540 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 2.1650 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -0.4340 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 0.3860 2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -1.1940 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 0.2560 2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -2.6320 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -5.9650 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 -8.0570 2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -9.3230 3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -8.2730 3.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -5.9580 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -0.6110 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -0.8350 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 0.7740 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -1.9670 0.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 -3.4810 1.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 39 2 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 29 38 1 0 0 0 0 M CHG 1 20 -1 M END