IFLAB-ZINC02677375 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 0.1880 1.4470 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 0.0260 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -0.5560 0.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -0.6860 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -1.9060 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -2.5960 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -2.0750 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 -0.8790 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -0.1790 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 -2.7560 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 -2.4320 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0170 -3.0760 0.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 -2.6530 1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0780 -3.1200 1.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4270 -1.5230 2.6920 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.0570 -0.6480 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -1.1780 2.0760 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.4110 -1.9320 4.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0890 -0.7720 5.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5180 0.3590 4.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3290 -4.1700 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8260 -5.4530 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6140 -6.4240 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 1.8790 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 1.4730 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 2.0530 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -2.3200 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -3.5340 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -0.4790 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 0.7560 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4030 -2.3000 4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7160 -2.7650 4.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4100 -4.2120 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8440 -4.0080 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7460 -5.5870 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1870 -7.3280 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6960 -6.3310 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4470 -1.0970 6.1290 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M CHG 1 38 -1 M END