5960 -OEChem-03282418353D 16 15 0 1 0 0 0 0 0999 V2000 0.8765 -1.7477 0.4612 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5468 0.2085 -1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0079 -0.5891 -1.1272 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8021 -0.7792 0.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7445 1.6788 0.4055 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7272 0.6375 0.5499 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5957 1.1159 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 -0.5980 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6864 0.0732 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 0.4158 1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4391 1.3530 -1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9553 2.0203 0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 1.3992 0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 2.5341 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 -2.5417 0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2665 -0.4573 -0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END > 5960 > 0.6 > 1 8 12 4 3 2 9 5 11 7 6 10 > 13 1 -0.65 13 0.36 14 0.36 15 0.5 16 0.5 2 -0.65 3 -0.57 4 -0.57 5 -0.99 6 0.33 7 0.06 8 0.66 9 0.66 > 3 > 8 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 5 donor 3 1 3 8 anion 3 2 4 9 anion > 9 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 0000174800000001 > 7.3698 > 40.715 > 12897270 3 18041011613012225318 137420 1 9505317914091190224 18185500 45 17905329524481664858 21040471 1 18122060072681638224 21922407 69 16415192416546670307 23552333 60 17631716262299918581 23552423 10 18411980239307295405 23552449 11 18200856405839835033 24536 1 18410851066598430641 29004967 10 18342463629378152392 > 156.76 2.93 1.48 0.93 1.09 0.06 0.12 -0.12 0.63 -0.72 -0.26 0.08 -0.12 0.36 > 299.836 > 95.1 > 2 5 10 $$$$