IBS-ZINC05452104 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.6990 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0790 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7730 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0660 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.2510 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.9990 -1.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -6.3120 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -6.7050 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -5.2810 1.4060 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -8.1420 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -8.9970 -0.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -8.6590 -1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -7.2980 -2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -10.0530 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -10.7430 -1.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -10.3770 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -11.5310 0.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 -11.9590 1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 -13.0740 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6940 -13.5080 2.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 -12.8310 4.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 -11.7190 4.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 -11.2860 3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1610 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6200 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.5970 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1380 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -8.3720 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -8.3040 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -8.6140 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -9.4190 -2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -7.3980 -2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -6.9360 -2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -10.5750 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -9.5310 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0730 -13.6030 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3320 -14.3760 2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1370 -13.1710 5.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -11.1920 5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -10.4200 3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 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 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 M END