68841 -OEChem-09232115453D 19 18 0 1 0 0 0 0 0999 V2000 2.2312 0.1578 -0.0234 P 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 0.1779 0.4023 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1908 -0.0787 -1.6227 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7394 -1.2660 0.5504 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8827 1.6617 0.7898 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0294 1.3451 0.4296 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6867 0.7321 -1.1182 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4558 -1.7430 0.1076 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5655 -0.6836 0.5145 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1492 -0.9147 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1229 0.6115 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -0.6154 1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1362 -0.9887 -1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2547 -1.8431 0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4927 -1.8118 -0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4057 -1.5520 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0327 -0.0654 -2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -1.4846 0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2244 2.5038 0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 2 10 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 0 0 0 0 5 11 1 0 0 0 0 5 19 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 M END > 68841 > 0.6 > 1 14 11 17 5 12 10 15 4 13 16 18 6 3 7 9 8 2 > 16 1 1.51 10 0.28 11 0.66 15 0.36 16 0.36 17 0.5 18 0.5 19 0.5 2 -0.55 3 -0.77 4 -0.77 5 -0.65 6 -0.7 7 -0.57 8 -0.99 9 0.33 > 4 > 9 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 cation 1 8 donor 3 5 7 11 anion 4 1 3 4 6 anion > 11 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 00010CE900000001 > -21.8947 > 45.767 > 12897270 3 18343585156918551765 12932741 1 18272660051436136214 12932764 1 18335713749033492386 14325111 11 18408318895514234034 14390081 3 18411136943779352600 15310529 11 18343018938569098570 15775835 57 18114183020892839268 19973954 147 18341617031258067032 20653085 51 17488193599343623897 21028194 46 18187927231571372567 23552423 10 17967814937813245474 3248919 1 17703792500627426178 369184 2 18409166623374443435 5084963 1 17894912923076563323 8030462 33 18260274078729839526 > 190.03 4.98 1.52 0.99 1.56 0.06 0.35 -0.52 0.25 -0.53 -0.28 0.18 -0.13 0.08 > 349.389 > 120.3 > 2 5 10 $$$$