IBS-ZINC05026545 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 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 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -4.7830 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -5.0070 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -4.7890 -2.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 -5.4960 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -5.7370 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 -6.1890 -0.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3130 -6.2490 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 -5.8280 -2.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 -5.7420 -3.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4700 -6.6720 -2.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5620 -7.0840 -1.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6570 -7.4840 -1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7990 -7.9140 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0000 -8.3540 -1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7930 -8.6580 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0490 -8.3930 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8440 -7.9490 0.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -5.4880 1.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -5.0240 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -4.8150 2.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 -5.7320 2.5260 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 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5920 -6.6840 -3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 -5.5440 -4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 -4.9340 -3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5310 -6.6860 -3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7240 -7.4990 -2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2870 -8.4510 -2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8060 -9.0320 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3690 -8.5200 1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -6.7570 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -5.0400 3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -5.5810 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 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 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 M END