IBS-ZINC02120930 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -1.9930 -0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -2.6820 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 -2.0930 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -4.1830 -0.2620 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7990 -4.4630 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -4.8000 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 -5.7140 1.5810 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -4.8130 0.4040 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1640 -3.8700 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 -4.6320 -0.7410 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5550 -4.9720 -1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -4.6610 -2.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7320 -5.7780 -1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9000 -5.7050 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9220 -6.3790 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8190 -7.1310 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6920 -7.2080 -1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6340 -6.5320 -2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5040 -6.5960 -3.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6890 -7.6470 -4.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5800 -7.9430 -2.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6170 -8.6060 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -5.7600 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -3.7040 2.1240 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -2.4640 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0260 -6.3230 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6200 -7.6580 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6700 -7.5830 -5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -7.5490 -3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1020 -8.6100 -3.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2140 -7.8690 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2530 -9.1540 -2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1730 -9.3020 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -5.2170 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -6.1840 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -6.5610 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -3.0650 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -4.1600 3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -3.1060 1.7690 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 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END