IFLAB-ZINC02710443 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7790 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1390 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.4700 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -1.0100 -1.4410 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -4.1160 -1.0870 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -4.0380 -2.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -4.9280 -0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -4.5960 -1.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -3.9220 -2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6430 -4.7550 -2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 -4.5660 -1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 -5.3300 -1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 -6.2840 -2.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -6.4730 -3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -5.7040 -3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3340 -7.2450 -3.0910 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.3750 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.8780 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -5.3230 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -2.9460 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -3.7940 -3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -3.8220 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7590 -5.1830 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8120 -7.2180 -4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -5.8490 -4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 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 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 M END