10083 -OEChem-05142407203D 41 43 0 1 0 0 0 0 0999 V2000 -0.2878 0.1948 -1.8882 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4651 -0.0855 -0.2501 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2744 0.6477 0.1982 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0386 0.0516 -0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3989 2.1414 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6716 2.7353 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8885 1.9111 0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6837 0.4310 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0698 -1.4410 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 0.7776 -0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3592 -1.7792 1.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2252 0.8435 -1.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1285 -2.3645 -1.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4669 1.3266 1.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4573 -3.1322 1.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 1.5020 -0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0305 -3.7174 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6679 1.9853 1.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2624 -4.1013 0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6474 2.0730 0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2168 0.5418 1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4405 2.3092 -1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5563 2.7287 0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7947 3.7727 0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5887 2.7531 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3843 -1.0736 -0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7777 2.2820 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0724 2.0368 -1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6484 0.2739 1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5415 -0.1366 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0816 1.1013 -2.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4968 -1.0522 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0918 0.3881 -2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 -2.1054 -2.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7336 1.2738 1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6807 -3.4316 2.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1913 1.5654 -1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -4.4726 -1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8415 2.4284 2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3373 -5.1548 0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5831 2.5843 0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 32 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 13 17 2 0 0 0 0 13 34 1 0 0 0 0 14 18 2 0 0 0 0 14 35 1 0 0 0 0 15 19 2 0 0 0 0 15 36 1 0 0 0 0 16 20 2 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 M END > 10083 > 0.6 > 1 6 2 8 4 9 7 5 10 3 > 29 1 -0.68 10 -0.14 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.9 20 -0.15 26 0.36 3 0.27 31 0.4 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 0.57 40 0.15 41 0.15 8 0.27 9 -0.14 > 4.2 > 7 1 1 acceptor 1 1 donor 1 2 cation 1 2 donor 6 10 12 14 16 18 20 rings 6 2 3 5 6 7 8 rings 6 9 11 13 15 17 19 rings > 20 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 0000276300000001 > 60.4157 > 35.527 > 11101153 10 8304898851986238491 11578080 2 11837682320472018525 116883 192 17549261887999403383 12532896 13 18341047522884225460 12553582 1 17040368380497519710 12788726 201 17757276255280493394 13083527 12 18120627186082723695 13134695 92 17405124250103526949 13140716 1 18410009901368874985 13294875 104 18057592175540302832 133893 2 17972573529833323007 136203 1 17978511162989812760 13681431 1 17689705372847388694 14178342 30 18262817215356043009 14223421 5 18263932034104791433 14863182 85 18189076294780382343 14955137 171 18054502509306427170 15042514 8 18120940773981332498 15906896 17 18119251911273102858 16945 1 18126000713533407876 17980427 23 17051304715668549201 19591789 44 18411420596325607218 20028762 73 17767701807952237023 20567600 347 18408327674685830587 20645476 183 18335990873414385444 20905425 154 17836654015463193220 21524375 3 18412827971188172020 22956985 138 17969216737929950131 23366157 5 17972609783699870941 23419403 2 17107689995444123010 23557571 272 17836932574568929948 23558518 356 18124304167345171404 23559900 14 17978782416572320665 298252 57 17275103933564756004 3091708 16 9120632004008412899 3187 122 16973611505720243824 404807 78 17391322459710708895 4175511 71 17331688942420948321 43471831 8 18409446968906688953 458136 41 18266198157291628081 5845 1 16622680332274396194 6138700 20 18050297964495266030 633830 44 18201442458496902909 6442390 28 18340219573638603625 68419 9 17485323925418522957 7364860 26 18124315999937600925 81228 2 17906445885192088521 84936 182 18270405958041778465 9841814 1 17758966913643586779 > 400.74 4.99 4.78 1.34 1.6 5.71 -0.04 -6.44 0.26 -0.32 0.85 -0.62 0.36 -0.15 > 867.5 > 216.8 > 2 5 10 $$$$