751 -OEChem-03292406423D 12 11 0 1 0 0 0 0 0999 V2000 -0.7091 1.5701 0.0377 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0735 -0.7647 -0.0526 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9191 -0.8174 0.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0299 0.4521 -0.4173 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3224 0.3612 0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7976 -0.8014 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2236 0.5586 -1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1225 0.2469 1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9269 1.2662 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -1.7367 -0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8275 1.4861 0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -0.6413 -0.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 M END > 751 > 0.4 > 2 6 5 4 3 1 > 9 1 -0.68 10 0.06 11 0.4 12 0.4 2 -0.68 3 -0.57 4 0.34 5 0.28 6 0.45 > 2 > 5 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 1 3 acceptor > 6 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 000002EF00000002 > 1.8918 > 25.379 > 139733 1 10015597115613611454 16714656 1 18337677425113237294 20096714 4 17979910506453522212 21040471 1 17905885873160055380 24536 1 18265594551240754868 29004967 10 18190460652179673162 5943 1 11115967715426865757 > 105.87 2.21 1.27 0.65 0.3 0.38 -0.02 -0.8 0.24 -0.2 0 0.01 0 0.08 > 189.884 > 68.1 > 2 5 10 $$$$