77317 -OEChem-10201904173D 16 16 0 0 0 0 0 0 0999 V2000 -2.8188 0.0004 -0.6977 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1888 0.0002 -0.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5627 -0.0003 0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0303 -0.0003 0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1243 1.2024 0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1245 -1.2027 0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 1.1489 -0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4873 -1.1486 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3067 -0.8709 1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3019 0.8796 1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3799 2.1588 0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3797 -2.1590 0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0688 2.0588 -0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0693 -2.0584 -0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8103 0.0065 -0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6573 -0.8691 -1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 7 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 M END > 77317 > 0.4 > 1 2 > 14 1 -0.99 11 0.15 12 0.15 13 0.15 14 0.15 15 0.36 16 0.36 2 -0.62 3 -0.14 4 0.41 5 -0.15 6 -0.15 7 0.16 8 0.16 > 1 > 4 1 1 cation 1 1 donor 1 2 acceptor 6 2 3 5 6 7 8 rings > 8 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00012E0500000001 > 15.8578 > 20.297 > 18185500 45 18343303626165399011 21040471 1 18194125341820686896 23552423 10 18118980087193388318 29004967 10 18335430049105278611 > 154.67 3.06 1.33 0.7 1.56 0 0 0 -0.5 -0.56 0.02 0.22 0 0 > 314.723 > 88.1 > 2 5 10 $$$$