OTAVA-ZINC05555530 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 -0.0030 1.5520 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 0.0220 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -0.4710 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -0.4680 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.6870 2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -0.4740 2.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -1.1850 3.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -1.4300 3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -1.8950 4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -2.1190 5.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -1.8780 5.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -1.4080 4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -2.1250 7.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -0.6140 8.0510 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -0.3370 8.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 0.3860 7.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -1.1330 9.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 0.0190 10.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 1.0850 10.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -0.1360 11.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 0.9010 12.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 2.2230 12.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 3.2450 12.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 2.9520 14.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 1.6350 14.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 0.6100 13.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 4.2380 15.4980 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 1.9230 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.9200 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 1.9040 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.3480 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -0.1010 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -1.5610 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -0.1040 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 -1.2560 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -2.0850 4.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -2.4830 6.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -1.2160 4.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -2.4060 6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -2.9310 7.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 -1.4430 9.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -1.9680 9.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -0.9660 11.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 2.4530 11.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 4.2730 12.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 1.4090 15.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -0.4180 14.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 M END