IBS-ZINC04661960 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 58 0 0 0 0 0 0 0 0999 V2000 -0.0500 1.4640 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 0.0130 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -0.6150 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 0.0280 0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -2.1210 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 -2.5770 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -4.0820 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -4.7260 -0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 -4.7140 0.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 -6.1950 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 -6.8280 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 -7.4740 -1.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 -7.2690 -3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3470 -7.0590 -3.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 -5.6640 -4.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 -4.8750 -4.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0360 -3.5900 -3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -3.5870 -1.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3550 -3.1110 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 -3.9980 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 -5.1630 -5.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 -3.9920 -5.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -6.0590 -5.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -5.2820 -6.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -6.1780 -7.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -7.3200 -6.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -5.7070 -8.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -6.6260 -8.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 1.8430 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 1.8300 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 1.8100 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -2.4930 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -2.5130 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -2.2050 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -2.1840 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -6.5330 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 -6.4760 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -6.0530 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -7.5600 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -6.3890 -3.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -8.1430 -3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4210 -7.7640 -4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1820 -7.2080 -3.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1780 -4.6270 -4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1190 -5.4550 -3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9510 -3.5400 -3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4850 -2.7280 -3.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 -3.1410 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 -2.0860 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 -4.7220 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 -3.3860 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -6.3980 -4.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 -6.9210 -6.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -4.9430 -7.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -4.4200 -6.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -6.1190 -9.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -6.9620 -7.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -7.4850 -9.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 M END