IBS-ZINC05454555 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 1 0 0 0 0 0999 V2000 -0.0640 1.4260 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.0370 -0.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -0.6640 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -0.0320 0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -2.1360 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -2.8480 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -4.1920 0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -4.9540 0.1540 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2980 -4.3850 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 -6.2880 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 -6.0340 2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -4.8970 2.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -7.0700 3.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 -5.2110 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 -4.8000 -2.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -2.8170 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -4.0300 -0.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -2.0590 -0.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -0.7220 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -0.0970 -0.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -2.7120 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 1.8150 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 1.8180 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 1.7320 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -2.3260 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -4.6540 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -6.8190 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -6.8930 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -7.9790 2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -6.9060 4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -3.7930 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -2.4580 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -2.3720 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 -5.8970 -1.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -6.0370 -2.2950 H 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 19 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 34 35 1 0 0 0 0 M END