IFLAB-ZINC01746604 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 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 0 0 0 0 0 0 0 0 0 0 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8150 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5530 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.3880 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -3.8510 2.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -4.5590 1.6700 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3500 -5.6330 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 -4.2420 2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 -4.7380 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 -4.1960 -0.3880 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -5.2420 -1.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6790 -2.8930 -0.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -4.0930 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -4.7050 3.2360 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -6.0080 3.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -3.8690 4.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -4.8920 2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -5.9900 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -6.1370 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -5.1850 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -4.0870 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 -3.9440 2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 -5.3690 -0.7370 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -2.0380 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -2.0640 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 -3.1670 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -4.7660 3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 -4.2620 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 -5.8240 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -4.7530 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -3.0650 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -6.7320 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -6.9940 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 -3.3440 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -3.0890 2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 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 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 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 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END