ligand ligand 3D structure with hydrogens 29 30 0 1 0 0 0 0 0999 V2000 -0.6044 2.5123 0.5957 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2182 1.3433 1.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0664 0.2265 0.1248 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7204 -0.9614 0.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 -1.6504 -0.5127 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7276 -1.7202 -0.3038 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3934 -0.8341 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6208 -1.0571 0.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2855 -2.0959 0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6877 -2.9636 -0.4547 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3973 -2.7867 -0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8177 -3.6752 -1.6236 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5773 -2.3320 0.6673 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9326 -0.8567 -1.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8702 -0.8911 -2.7098 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 -1.3511 -2.2703 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7195 0.5339 -1.2100 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8792 1.3101 -2.0375 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6845 3.2301 1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2837 1.5329 1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7399 1.0657 2.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 0.1457 -0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 -2.7118 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9158 0.0982 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0907 -0.3741 1.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9036 -3.1577 0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1345 -1.7592 1.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6299 1.1310 -1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7741 2.1756 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 17 18 1 0 0 0 0 14 16 1 0 0 0 0 11 12 2 0 0 0 0 14 17 1 0 0 0 0 3 17 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 10 11 1 0 0 0 0 3 4 1 0 0 0 0 2 3 1 0 0 0 0 6 7 1 0 0 0 0 9 10 2 0 0 0 0 1 2 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 13 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 5 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$