IFLAB-ZINC04291568 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 0 0 0 0 0 0 0 0999 V2000 -0.0320 1.3580 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -0.0400 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 -0.6570 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.1620 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 1.5610 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 2.1610 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 2.0270 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2340 3.2410 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 4.5030 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 4.5680 -0.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 5.6040 -0.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 5.3580 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 6.4370 -0.0330 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 3.6340 -0.4080 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 6.9320 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 7.1390 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 8.7540 1.3610 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 9.6250 1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 8.8150 0.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 0.7910 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 0.6860 -0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -0.2670 0.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.8360 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -0.6390 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -1.7350 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 3.2350 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 7.7090 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 6.9930 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 6.4160 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 7.0190 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -1.2280 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 8.7310 2.7350 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 31 1 0 0 0 0 M CHG 1 32 -1 M END