IBS-ZINC00549404 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -0.7580 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 -1.2350 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 -1.4850 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 -1.2490 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -0.7760 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 -1.9960 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 -2.2270 1.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3060 -2.7120 1.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7080 -4.0300 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0210 -4.0310 1.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4630 -2.8250 1.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4600 -1.9750 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5790 -0.2170 1.2230 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.8280 -5.2170 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3450 -6.4760 1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5210 -7.5810 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -7.4430 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 -6.1920 0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4780 -5.0830 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 -8.5340 1.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -8.3210 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -0.5640 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 -1.4160 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 -1.4390 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -0.5960 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9090 -2.1770 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6110 0.0420 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3890 -6.5840 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9200 -8.5550 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -6.0890 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -4.1120 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 -7.6320 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -9.2710 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -7.8970 -0.2310 H 0 0 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 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 35 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 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END