IBS-ZINC02345411 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 0.2580 -0.1490 -4.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 1.0050 -4.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 2.0400 -5.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 1.9230 -5.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 0.7600 -4.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -0.2700 -4.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 0.5880 -5.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 1.0010 -3.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 0.2100 -2.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 2.3350 -3.8550 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 2.8290 -2.7490 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0420 4.1190 -2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 4.9250 -3.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6580 4.6140 -1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9080 3.7690 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5460 2.5970 -0.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5610 4.4670 0.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9740 4.0290 1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7570 2.7320 2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1910 2.3650 3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8440 3.2900 4.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0660 4.5860 4.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 4.9760 2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8870 6.3910 2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4590 6.6580 1.0800 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4860 3.2610 -6.0830 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -0.9540 -3.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 1.1000 -4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 2.9390 -5.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 -1.1730 -4.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 -0.4650 -5.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 1.1350 -5.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 3.0040 -4.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 2.1950 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9880 5.6450 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1670 5.8100 -3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 5.4720 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2510 1.9860 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0180 1.3550 4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1810 3.0020 5.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5770 5.3040 4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4880 7.1930 3.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 42 2 0 0 0 0 M CHG 1 25 -1 M END