IBS-ZINC04044582 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 55 0 0 1 0 0 0 0 0999 V2000 -0.2400 1.3200 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 0.0150 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -0.6720 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -1.7310 1.4350 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0160 -1.2810 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -2.3610 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.8120 1.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -3.8280 1.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7220 -4.4300 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -4.2380 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 -5.5050 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -6.4380 -1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -6.4650 -2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 -7.5230 -3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -8.5230 -3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -8.5210 -2.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -7.4580 -1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -7.1510 -1.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -7.6770 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -5.9850 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -5.3120 0.6540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2330 -5.9160 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -4.0050 0.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -2.8490 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -2.6760 1.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -5.1190 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -4.3520 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -4.1720 -1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -4.7610 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -5.5340 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -5.7150 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 -5.9990 0.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 -5.8410 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 -4.7410 -1.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 1.9030 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 1.8120 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -0.5680 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -1.1490 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 0.0630 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -3.4440 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -4.4080 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 -5.6890 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4760 -7.5780 -3.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -9.3310 -3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -9.3060 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -3.8910 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -3.5720 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -6.3180 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4060 -6.7440 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4610 -5.5950 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 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 23 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 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 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 48 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 49 1 0 0 0 0 33 50 1 0 0 0 0 M END