IBS-ZINC05206891 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.6090 1.5090 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -0.0150 0.3640 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0470 -0.2870 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.5670 1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -2.0810 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -2.8060 1.3570 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8750 -4.2810 1.0640 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2920 -4.4710 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -4.7980 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -4.0030 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -2.6740 1.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 -4.6190 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -6.2340 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -6.7480 -0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -6.9880 1.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -8.3730 1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -8.9430 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -10.3200 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -11.0830 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -10.4500 2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -9.1340 2.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -5.0370 2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 -5.7800 1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -6.4740 2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 -6.4260 3.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -5.6800 4.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -4.9920 3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -7.1080 4.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -2.1100 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -2.7380 -0.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -0.6000 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 1.9270 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 1.9040 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 1.7820 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.1710 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -0.2790 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -2.6950 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 -4.6280 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 -4.0330 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -5.6400 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -6.5660 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -8.3190 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -10.7910 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -12.1600 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -11.0390 3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 -5.8170 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 -7.0540 2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -5.6410 5.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -4.4150 3.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -8.0110 5.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -0.3000 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -0.2340 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 41 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 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 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 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 M END