IFLAB-ZINC02723654 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3770 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 1.2100 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0250 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4060 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 3.4890 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 4.3050 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 5.5730 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 5.5510 0.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 4.3050 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 3.7780 2.1290 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 5.3840 2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 5.1760 3.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 4.0520 4.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 6.2380 4.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 6.0360 5.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3380 7.3730 6.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 7.9700 7.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 9.1970 7.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1340 9.8310 7.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 9.2300 6.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4560 7.9980 5.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8970 10.0440 5.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0470 10.9540 6.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7260 11.0220 7.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -2.0320 -0.0210 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -0.5040 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 1.9570 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 3.9860 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 6.4600 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 5.9540 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 5.9320 3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 7.1370 4.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 5.4650 6.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 5.4880 5.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 7.4770 7.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 9.6610 8.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0150 7.5270 4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7560 10.5600 7.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3640 11.9360 6.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END