IBS-ZINC05576959 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 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 1.2070 0.1470 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -0.4560 3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -1.8470 3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -2.6280 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -1.9990 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -3.9510 2.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -4.7060 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -4.0440 3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -2.7980 4.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 -2.4640 5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 -1.2210 5.7000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -0.9040 6.8780 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 0.4240 7.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 0.7390 8.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1390 2.0450 8.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 3.0670 7.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 2.7480 6.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 1.4400 6.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 4.4770 8.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4380 4.7520 9.3460 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 1.1600 1.2250 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 0.1440 3.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -2.5870 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -4.9670 4.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -3.2520 5.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -1.6120 7.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 -0.0510 9.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 2.2880 9.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 3.5350 6.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 1.1940 5.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 5.4600 7.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 6.3700 7.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 37 38 1 0 0 0 0 M END