IFLAB-ZINC02685321 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.0150 1.4210 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.0310 -0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -0.6210 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 0.0590 1.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -2.0910 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -2.7060 2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -4.0740 2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -4.8510 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -4.2430 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -2.8750 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -6.2380 1.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -7.1280 1.0540 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -6.6950 -0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -8.4800 1.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -6.6540 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -5.6840 2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 -5.3060 3.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -5.8950 4.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -6.8750 4.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -7.2540 3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -7.5090 5.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 -7.1800 6.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 -5.4190 5.5740 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 1.7880 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 1.7660 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 1.7980 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -2.1030 2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -4.5480 2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -4.8490 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -2.4040 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -6.6840 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -5.2210 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 -4.5490 2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -8.0140 3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -8.4530 6.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -8.8400 7.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 35 36 1 0 0 0 0 M END