IBS-ZINC04811661 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 0.4620 1.5170 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 0.9150 2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 3.1650 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 3.4540 2.4110 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 2.9320 1.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 5.2830 2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 5.8490 3.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 7.3190 3.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 8.1300 2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 9.4610 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 9.3750 3.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 8.0780 3.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 3.1340 3.8410 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5140 0.4630 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 1.8100 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 2.0890 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 1.2710 2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -0.1280 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 0.8830 2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 3.7380 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 3.5490 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 5.6890 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 5.5520 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 5.3720 2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 5.6040 4.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2210 7.7980 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 10.3690 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 10.1020 3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 1.7290 0.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 29 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 M CHG 1 13 -1 M END