2137 -OEChem-04242401563D 39 41 0 0 0 0 0 0 0999 V2000 -3.0792 2.2455 0.5909 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 1.1047 0.4143 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4196 -1.0437 1.1978 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5992 -1.3601 -0.5681 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5569 -0.3670 -1.0349 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7305 -0.2388 -0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2265 1.0152 -0.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -2.6352 -0.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3404 0.7358 -1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7445 0.5440 -1.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9021 -1.2117 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6316 1.1608 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4676 -0.0659 0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3931 2.1354 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 1.9960 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7211 0.2109 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4118 -3.3788 0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9398 -1.1145 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3706 1.2400 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8675 -0.0873 0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8388 -1.4212 0.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2696 0.9333 1.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5038 -0.3973 1.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 -3.2632 -1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3045 -2.5199 -1.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0906 1.4342 -2.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7677 -0.2571 -2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4555 -2.1455 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7493 3.1166 0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5765 2.8571 -0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4157 -2.8121 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1471 -3.5621 0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0213 -4.3462 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4251 -1.9182 -0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1957 2.2790 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0206 -2.4572 1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 1.7305 1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2036 -0.6361 2.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3844 1.1288 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 20 1 0 0 0 0 2 39 1 0 0 0 0 3 20 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 17 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END > 2137 > 0.8 > 1 4 7 6 3 9 8 2 5 > 31 1 -0.57 10 0.29 11 -0.05 12 0.47 13 0.03 14 -0.15 15 -0.15 16 -0.14 18 -0.15 19 -0.15 2 -0.65 20 0.71 21 -0.15 22 -0.15 23 -0.15 28 0.15 29 0.15 3 -0.57 30 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.5 4 -0.57 5 -0.62 6 0.41 7 0.09 8 0.37 9 0.17 > 4 > 9 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 1 5 acceptor 3 2 3 20 anion 6 16 18 19 21 22 23 rings 6 4 6 7 11 12 13 rings 6 5 6 7 9 14 15 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000085900000001 > 63.6528 > 45.763 > 11045977 3 17917708033147036048 11796584 16 16805041843607805761 12236239 1 17967535678986729892 12422481 6 18189905214382651777 12553582 1 18335983147041994244 12592029 89 18335433339377723171 12596602 18 18114180860603534672 12633257 1 18059847403022304848 12670546 177 10809337815860015608 12839892 36 18408887300334843915 12925494 130 17908701722428662985 13140716 1 18124317369894985983 13533116 47 17821732758100881280 13551218 46 18334293141276806346 13914758 101 17458619000705626637 14022347 108 18266203732322280412 14178342 30 18196949772513209021 14341114 176 18343015580875162776 14341114 328 18337382851462505848 14420673 8 17833548999533698730 14466204 15 18339647746193938545 14528608 73 11455890256400410856 15210252 30 12319442300048666250 16728300 4 17895744107013386699 17959699 21 12463579451874590771 17980427 23 17703502319768396437 1813 80 17240484689441786828 20028762 73 18129388249494792639 20645477 70 15719391755044934924 20775438 99 11460145478269826064 212916 134 18201998824175268610 21637258 2 16226042331766746595 21857420 4 13413319140705242456 21859007 373 17969766524046031485 22122407 14 15698001898471531882 221357 26 10809337828803050034 22182313 1 18267873770072794167 23366157 5 17829614216136294765 23402539 116 18272646866276966941 23559900 14 18059594485309636412 25147074 1 18122908891236740036 2838139 119 14764346007444673738 3680242 22 18410302388673394185 4072396 5 18409452453664159725 465052 167 17822306716160711011 5104073 3 18267038304903864697 56633871 153 18336255748474788026 58807428 26 18339086968944822987 5924683 9 17916290800649095414 7064713 232 18340763754721896530 7970288 3 17023176081841650962 > 445.76 11.91 2.64 1.23 2.62 1.44 -0.03 -0.14 -6.69 -0.93 0.16 0.91 0.05 -0.57 > 973.149 > 239.6 > 2 5 10 $$$$