IFLAB-ZINC04337981 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7220 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.1410 2.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0740 1.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.6740 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -1.9440 -1.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6600 -1.1350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.4320 -0.1780 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -4.6310 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -6.0980 -2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -6.9280 -1.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -6.4890 -3.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -7.8420 -3.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -8.3230 -5.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -9.6380 -5.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -10.2990 -4.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -9.1140 -2.7860 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8210 2.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -4.1720 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -4.1480 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -5.8250 -4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -10.1380 -6.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -11.3720 -3.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.2310 3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -3.4700 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 8 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 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 25 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 M END