IBS-ZINC02114091 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 55 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 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 1.1980 -0.6890 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0100 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.0930 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 1.8480 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 3.0850 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 3.1220 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 1.9990 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 0.8050 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 0.6790 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 -0.4060 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 -1.3320 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8140 -0.4100 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0180 -0.4150 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8040 -1.5480 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -2.6820 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 -2.6820 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4120 -1.5510 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1710 -3.7900 -0.1020 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 4.4270 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8700 5.4580 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 4.4730 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5490 5.7660 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9370 5.6050 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6570 6.9550 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7980 7.4570 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4090 7.6180 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6900 6.2680 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -1.7690 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.1730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 4.0000 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 0.4680 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7370 -1.5520 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 -3.5680 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 -1.5510 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 3.6500 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9720 6.4850 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5140 4.8850 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8370 5.2470 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6460 6.8400 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0800 7.6740 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3750 6.7380 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3100 8.4190 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5100 7.9760 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8320 8.3380 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7010 6.3830 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2670 5.5490 1.9760 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 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 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 40 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M END