IBS-ZINC05428478 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 0.3650 1.2550 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -0.0660 -0.1030 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1040 -0.8030 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.5480 1.1460 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6770 -0.3510 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -2.0880 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -2.4690 2.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 0.0800 2.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 1.3250 2.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 2.0690 2.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 1.6810 4.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 3.1360 4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 3.5000 5.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 4.0610 5.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 4.2160 7.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 4.5960 7.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 3.7790 7.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 3.3200 7.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 2.8020 7.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 2.7640 9.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 3.2330 9.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 3.7500 9.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 0.1210 0.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 0.3940 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 1.2150 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 1.4880 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 2.0910 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -0.5480 2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.4940 4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 1.0060 4.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 3.3210 4.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 3.7980 3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 4.3520 5.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 2.4300 7.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 2.3640 9.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 3.1950 10.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 4.1110 10.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -2.7620 0.3330 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 38 -1 M END