IFLAB-ZINC04078705 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 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 1.2040 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 1.4310 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 2.0980 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 1.9590 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 1.1490 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -0.5170 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9690 1.5340 -0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 0.6010 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -0.5760 -0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 1.0210 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2420 -0.1700 -0.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6530 -0.7530 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3790 -0.3800 -2.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5140 -1.9500 -0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5290 -1.9570 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6800 -0.7600 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4340 -0.3960 2.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.7560 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 3.1770 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2010 2.4760 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5860 1.6200 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6030 1.6110 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0650 -2.8660 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5220 -1.8210 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0880 -2.8780 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5450 -1.8330 1.0350 H 0 0 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 M END