105089 -OEChem-03282422103D 18 17 0 1 0 0 0 0 0999 V2000 -1.0341 1.6385 0.7066 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9162 0.5066 -1.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7668 0.3937 0.1833 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2328 -1.8538 0.1762 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -0.6670 0.4986 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9643 -0.7938 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2135 0.5221 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1075 0.2537 -0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3899 -0.5804 1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 -0.9235 -1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4551 -1.6858 0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 0.5322 1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1286 -1.8118 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7602 -2.6860 0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6365 -0.5972 0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6856 1.1573 -0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0818 0.1344 -1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5311 2.4050 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 7 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 M END > 105089 > 0.6 > 1 8 7 11 6 13 9 4 2 3 12 10 5 > 12 1 -0.65 12 0.36 13 0.36 14 0.36 18 0.5 2 -0.57 3 -0.9 4 -0.99 5 0.33 6 0.27 7 0.66 8 0.27 > 3 > 7 1 1 acceptor 1 2 acceptor 1 3 cation 1 3 donor 1 4 cation 1 4 donor 3 1 2 7 anion > 8 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 00019A8100000001 > 4.3269 > 35.579 > 12897270 3 17846486028721650652 137420 1 8376318054378274883 14390081 3 18342174462516045048 16714656 1 18338803410924862955 20096714 4 18122628249372628593 21040471 1 18337670798142190906 23235685 24 18410856525322496096 23552449 1 18339643472342113594 24536 1 18341894056722317042 5084963 1 17460051590376959771 > 142.94 3.32 1.47 0.8 3.06 0.26 0.08 -0.61 0.64 -0.8 -0.22 -0.24 -0.13 0.04 > 260.875 > 91.4 > 2 5 10 $$$$