IBS-ZINC02245249 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 54 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3900 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 1.1780 -0.6880 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0150 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4320 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 2.1040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 2.1250 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 1.4800 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 1.8920 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8370 0.7220 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 -0.3670 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 0.0150 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -0.6500 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 -1.7560 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 -2.2480 1.3690 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7380 -2.0980 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0380 -3.7430 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -3.7910 2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3840 -2.4610 2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7370 -1.5340 2.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 0.6720 -0.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 3.2600 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 3.8250 1.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8220 3.8970 -1.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3350 5.2700 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 5.7470 -2.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5600 6.3730 -3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9380 6.7190 -4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1830 6.3740 -4.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9550 5.5720 -3.5960 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9100 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -1.7680 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 3.1840 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7530 -2.3810 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4410 -1.8150 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 -4.3240 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1450 -4.1100 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4450 -4.6470 2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 -3.8110 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8050 -2.5690 3.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4000 -2.1360 3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7210 1.4940 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6600 -0.1850 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 3.4480 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 5.9190 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3010 5.2950 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 6.5930 -2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 7.2290 -5.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6470 6.5610 -5.9150 H 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 M END