IBS-ZINC04872542 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 0 0 0 0 0 0999 V2000 -0.1540 1.4600 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0310 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -0.8240 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -2.1910 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -2.7660 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -1.9740 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.6070 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -4.5090 -0.2080 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -4.7300 -1.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -4.9580 0.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -5.1220 -0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -4.9420 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -5.8830 -2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 -5.7070 -3.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 -4.5770 -3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 -3.6330 -2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -3.8220 -1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -4.3830 -4.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3890 -5.4560 -5.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -6.8070 -4.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -7.5950 -5.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9450 -7.1750 -3.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 -8.4820 -3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 -8.6480 -2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9990 -8.6770 -2.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 -5.2770 -6.7320 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 -6.3480 -7.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2910 -7.4620 -6.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 -6.1620 -8.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 1.9360 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 1.8420 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 1.6800 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -0.3740 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -2.8100 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -2.4230 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 0.0120 -1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -6.7540 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -6.4380 -4.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -2.7600 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -3.0960 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 -3.3850 -5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6100 -6.5740 -3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 -9.2690 -3.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -8.5500 -2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4070 -9.5820 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5010 -7.8120 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6440 -8.7800 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1210 -4.3830 -7.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 -5.1010 -9.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -6.7000 -9.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9610 -6.5500 -8.8730 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 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 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 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 M END