IFLAB-ZINC02454539 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 0.4020 1.0880 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -0.0710 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -0.9730 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -0.4160 1.4060 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 1.0300 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -2.2500 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 -2.5720 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -1.7260 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.5200 -0.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2630 -2.4790 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 -3.8170 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3570 -4.9680 0.4650 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 -4.1910 0.7160 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 -1.8100 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 -1.1830 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -0.5230 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9540 -0.5460 -0.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0740 0.0640 1.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3080 0.7510 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1630 0.9420 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3740 1.6330 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7480 2.1430 2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8840 1.9450 3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6790 1.2610 3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2230 2.4350 4.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0330 2.8900 2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1970 3.2780 3.5140 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3770 1.9180 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -0.2270 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 1.7650 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -3.0230 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2030 -2.5240 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 -1.0300 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 -0.4290 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3590 -1.9460 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5590 0.0000 2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9200 0.5640 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0250 1.7710 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0490 1.1370 3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1260 2.8880 4.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8130 3.0670 1.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 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 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 2 0 0 0 0 M CHG 1 27 -1 M END