IBS-ZINC05354208 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -0.4080 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -1.9280 1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -2.2690 2.9440 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2920 -1.7880 3.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -3.7620 3.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -4.3650 3.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -1.7910 2.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -1.5100 3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 -1.6530 5.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 -1.0180 3.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 -0.7760 5.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2950 -0.2770 5.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8560 -0.0390 6.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8810 1.1280 7.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4680 0.9590 8.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5980 1.6600 9.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8450 -0.3560 8.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4730 -1.0400 7.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7290 -2.4070 7.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3380 -3.0750 8.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7030 -2.4060 9.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4670 -1.0550 9.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 0.0240 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -0.0010 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.3610 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -2.3350 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -1.6760 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 -1.7660 3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 -0.0860 3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -0.0280 5.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 -1.7080 5.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8990 -1.0250 4.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3130 0.6550 4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4950 2.0640 6.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4480 -2.9340 6.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5360 -4.1330 8.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1840 -2.9470 10.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7530 -0.5430 10.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -4.4230 3.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -5.3800 3.4020 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 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 44 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 44 45 1 0 0 0 0 M END