IBS-ZINC02160401 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7430 -0.5450 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0970 -1.2560 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 -1.2110 0.8980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -1.9180 -0.4050 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2860 -2.8410 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -0.6310 -1.4020 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 -2.1480 -0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -2.5470 -2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1640 -2.6860 -2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0030 -2.4230 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4820 -2.0150 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 -1.8670 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -1.4100 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -1.2530 2.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 0.6030 2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 1.1000 2.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 1.0780 2.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 2.1940 3.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5300 4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 3.5980 4.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 3.9060 5.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 3.1480 6.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 2.0790 6.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 1.7640 5.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 0.7100 6.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -0.0340 7.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.5610 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 -2.7520 -2.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 -3.0000 -3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0710 -2.5380 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1400 -1.8110 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 0.6810 2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 1.9130 4.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 3.0640 3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 4.1920 3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 4.7420 4.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 3.3910 6.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 1.4870 7.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 0.6240 8.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -0.4480 7.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -0.8440 7.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -0.1990 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -1.6500 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -0.2300 0.8140 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 8 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 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