IFLAB-ZINC04164334 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 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 3 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.7810 -2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -0.6000 -1.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -1.0750 -2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.6320 0.0150 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -0.0970 1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -0.4060 1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 0.0020 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 0.7340 4.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 1.2610 5.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 1.8440 5.5920 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 1.7260 4.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 1.0190 3.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 0.5820 2.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 2.2600 4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 2.6860 5.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 3.1830 5.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 3.2610 4.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 2.8400 3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 2.3350 3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 3.8880 4.8320 Cl 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 3.7390 -1.1170 -2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -2.0700 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -0.3930 -3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2630 -0.9680 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 -0.2320 3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 2.6270 6.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 3.5130 6.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 2.9030 2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 2.0030 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 17 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 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 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END