OTAVA-ZINC05555324 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 -0.0120 1.5200 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0100 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -0.5110 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -0.4910 1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.7040 2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -0.4930 2.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -1.1940 3.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -1.4160 4.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -1.8740 5.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -2.1130 5.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -1.8950 4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -1.4430 3.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -2.6130 7.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -4.4270 7.0960 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -4.8690 7.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -4.8920 6.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -4.7990 8.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -6.2920 8.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 -7.0330 8.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 -6.8050 9.9530 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 -8.1870 10.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -9.0610 9.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 -10.4250 9.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 -10.9210 10.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 -10.0520 11.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 -8.6870 11.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -12.6360 10.8710 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 1.8920 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.8820 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 1.8770 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -0.3810 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -0.1390 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -1.6010 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -0.1490 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -1.2280 4.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -2.0450 6.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 -2.0840 4.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -1.2780 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 -2.2570 7.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -2.2410 7.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 -4.3780 8.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -4.3620 9.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -6.2150 10.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 -8.6750 8.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 -11.1050 8.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -10.4420 12.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 -8.0100 12.3000 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 13 1 0 0 0 0 11 12 1 0 0 0 0 11 37 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