IFLAB-ZINC04585834 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.8510 -0.5890 -1.4900 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -0.2970 -2.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -0.2740 -1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -2.3460 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -3.0450 -1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -4.4250 -1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -5.1120 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -4.4130 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -3.0220 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1430 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 -4.5320 0.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -6.4870 0.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8450 -7.1730 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -8.4600 0.9290 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 -8.9460 1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 -8.0260 1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 -6.4440 1.4900 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -2.5120 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -4.9640 -2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -6.1890 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -2.4750 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -6.9750 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 -10.0030 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 -8.2180 2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 M END