70192478 -OEChem-03282414153D 36 38 0 0 0 0 0 0 0999 V2000 2.0460 -0.0273 2.0159 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2788 -1.5611 1.7666 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4267 -2.7080 -0.3279 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5133 -0.8876 -0.0881 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 2.3055 -0.1442 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4025 2.7157 0.0104 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1363 4.4863 0.0579 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 0.4653 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6895 0.9906 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6443 1.3957 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -0.9126 -0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 0.1727 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1767 -1.3724 -0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9483 0.9078 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2198 -0.4610 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 -0.3101 0.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 -0.1305 -1.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1102 3.0988 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6649 -1.0960 0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5303 -0.9164 -1.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 -1.3992 -0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 -3.5729 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0625 -1.1833 1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0229 -1.5892 -0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 1.6071 0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 0.2382 -2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9241 -1.1528 -2.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0624 -2.0115 -0.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6422 5.1248 0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0883 4.8245 0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6831 -4.5969 -0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6535 -3.5229 0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7492 -3.3917 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4977 -1.9853 1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0647 -0.2892 1.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0948 -1.5166 1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 19 1 0 0 0 0 3 13 1 0 0 0 0 3 22 1 0 0 0 0 4 15 1 0 0 0 0 4 23 1 0 0 0 0 5 9 2 0 0 0 0 5 18 1 0 0 0 0 6 10 1 0 0 0 0 6 18 2 0 0 0 0 7 18 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 26 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M END > 70192478 > 0.6 > 1 6 4 5 2 3 > 28 1 -0.19 10 0.31 11 -0.15 13 0.08 14 -0.15 15 0.08 16 0.19 17 -0.15 18 0.72 19 0.19 2 -0.19 20 -0.15 21 -0.15 22 0.28 23 0.28 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.4 3 -0.36 30 0.4 4 -0.36 5 -0.62 6 -0.62 7 -0.9 9 0.31 > 3 > 8 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 7 donor 4 5 6 7 18 cation 6 12 16 17 19 20 21 rings 6 5 6 8 9 10 18 rings 6 8 10 11 13 14 15 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 042F0D5E00000001 > 91.5706 > 40.632 > 10319926 262 18053077560171066802 11578080 2 17532907546058641620 11582403 64 15970678321397004208 12236239 1 17749677298925372182 12363563 72 18411140233803312245 12403259 327 15769781290139636991 12553582 1 18411984680076743407 12714826 92 18040710355737954685 12788726 201 18262812782538031306 13009979 54 17969501507594365122 13140716 1 18268431424506079827 14022347 108 18339382810640100895 14178342 30 18124598570004482000 14466204 15 18339931403388341777 14790565 3 18267607744236826149 15042514 8 18265339391433916169 15885798 251 18411705387238447561 16752209 62 18262508200653034135 16945 1 18267586805848732429 17804303 29 18343303638986938857 1813 80 18341337751062301037 18222031 100 18343302587294958039 19049666 15 17413870929927199908 19319366 153 17822578316908115586 20028762 73 18059017306510261335 20510252 161 18199749137670258888 20600515 1 18343293790690343393 21197605 99 13508137991792705482 21421861 104 18118967133598397737 21650355 55 18339065013293681840 23184049 29 18338510975181011535 23366157 5 17973162026294698341 23557571 272 18272654520109212996 23559900 14 18129669719426520500 2748010 2 18340475721151400461 3084891 72 18267017250588693589 3091708 16 9137491928210040761 314173 41 18338244871892415703 34934 24 18267590297788857148 350125 39 17114956487398335949 465052 167 18115886229594015891 602551 16 18269552746209776498 7097593 13 18123468542971587035 7364860 26 18126008414431381797 77492 1 17605287172760204644 7970288 3 18408604764391188563 81228 2 18272098140690947969 8863177 126 17752786881250017979 9841814 1 18336829800459084081 > 432.1 7.73 3.78 1.23 1.07 2.85 -0.28 -5.73 -1.37 1.47 0.21 -1.4 -0.46 -0.11 > 958.717 > 233.5 > 2 5 10 $$$$