IFLAB-ZINC03961144 MOE2007 3D CORINA 3.40 0006 02.08.2006 19 20 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4000 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 1.3300 -0.3790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 0.7460 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -1.7050 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 -1.9330 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 -3.2230 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 -4.2820 -0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -3.1620 -0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -1.9300 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0570 -1.6880 -0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 -0.7310 -0.0520 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 2.0290 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -0.6620 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 2.8470 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -2.5360 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 -3.9720 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3770 -0.7720 -0.0720 H 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 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 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 16 1 0 0 0 0 6 7 2 0 0 0 0 6 17 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 18 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 19 1 0 0 0 0 M END