IFLAB-ZINC04486147 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 29 0 0 0 0 0 0 0 0999 V2000 0.0750 1.3320 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -0.1220 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -0.7940 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -0.1860 0.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -2.0840 0.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -2.7480 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -2.1660 0.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -0.7950 0.9330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -2.9420 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 -2.5140 0.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -4.3280 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 -5.3080 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -4.9820 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 -3.8160 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1800 -3.5570 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9670 -4.4470 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 -5.5360 0.9440 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 -5.8320 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -4.4410 -0.1960 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 1.7190 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 1.8960 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 1.4350 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -6.3270 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 -3.1380 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6160 -2.6700 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0210 -4.2460 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7890 -6.7360 1.2780 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 2 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 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 18 27 1 0 0 0 0 M END