IBS-ZINC00987088 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 0.4020 0.7300 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -0.4740 1.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -1.1040 1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -0.6600 2.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -2.3350 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -2.8480 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -3.9990 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -4.6480 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -4.1460 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -2.9930 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -4.8060 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -6.1800 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -6.8580 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2680 -6.1750 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4330 -6.8780 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4240 -8.2660 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2510 -8.9620 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -8.2700 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -8.9070 -0.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -8.2270 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 -6.8990 -0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -8.9710 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -8.2850 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -8.9820 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -10.3620 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -11.0530 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -10.3660 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -11.0440 -0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 1.1370 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 1.4680 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 0.4900 3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -2.3440 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -4.3940 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -5.5480 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -2.6040 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 -4.2980 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2890 -5.0990 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3760 -6.3510 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3600 -8.8000 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2590 -10.0380 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -7.2080 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -8.4500 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -10.9020 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -12.1300 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -11.1740 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 28 45 1 0 0 0 0 M END