IBS-ZINC05255067 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -2.0030 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -2.6260 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -1.8690 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.4880 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 0.1390 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -2.5500 4.3100 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5280 -3.6300 4.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -2.1670 5.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -2.7680 5.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -3.7180 5.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -4.2810 5.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -3.9290 6.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -3.0130 7.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.4110 7.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -1.4590 7.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -0.8950 7.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -1.2450 6.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 -0.6460 6.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 -1.2140 5.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 -2.1320 4.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 -2.6960 3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2650 -2.2850 3.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 -1.3640 4.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 -0.8620 5.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2550 -2.8390 2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3130 -1.9750 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3460 -2.5530 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -1.7460 -0.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -2.5950 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -3.7040 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1000 3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 1.2170 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -3.9990 4.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -5.0110 4.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -4.3900 6.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -2.7510 8.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -1.1770 8.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 -0.1640 8.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 -1.0450 4.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 -2.8500 3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9720 -3.8560 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3330 -1.9640 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5960 -0.9570 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3260 -2.5640 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0630 -3.5700 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 -2.0540 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -3.5900 2.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -3.8700 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 53 2 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 26 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 31 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 53 54 1 0 0 0 0 M END