73265245 -OEChem-05112400283D 53 57 0 1 0 0 0 0 0999 V2000 1.2209 3.0293 -0.4155 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5228 -1.5981 0.2345 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7895 2.5698 -0.2874 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0804 1.5922 0.5213 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4785 -0.4919 -0.3324 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2174 0.4959 -0.0783 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6751 0.9128 1.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 -1.2137 0.2184 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.0232 -0.8135 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4158 0.2918 0.6891 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9266 -0.3699 -1.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1443 1.1198 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4595 -0.9845 -1.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9698 -2.6308 0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8137 -0.4428 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0496 -3.3274 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4955 -3.7206 -0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7864 -0.0022 0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 0.7069 -0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 -0.1525 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0319 -0.3606 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 1.1676 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3741 2.0014 -0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7106 -0.9376 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9982 2.2363 -0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2585 0.2733 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3511 1.4364 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7183 0.3833 0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8005 -2.0076 1.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 0.9593 -1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2906 -0.6497 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7691 -1.4284 -0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6163 -0.1758 -2.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.0567 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3067 2.1720 0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4775 -1.1504 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2615 -1.9525 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8943 -2.8872 1.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5869 -1.2061 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0945 0.4157 -1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6694 1.1209 2.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3442 -4.0607 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -2.8515 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1249 -3.4552 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7385 -4.6722 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7224 -0.8864 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7304 0.4991 1.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3324 -1.8162 0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3542 3.2537 -0.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9187 -3.0941 1.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -1.7187 2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7421 -1.5611 1.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0548 1.7046 0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 21 1 0 0 0 0 2 29 1 0 0 0 0 3 27 2 0 0 0 0 4 28 1 0 0 0 0 4 53 1 0 0 0 0 5 28 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 14 1 0 0 0 0 8 20 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 25 2 0 0 0 0 22 27 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END > 73265245 > 0.8 > 2 4 1 3 > 35 1 -0.19 10 0.27 11 0.37 12 0.37 14 0.07 16 -0.2 17 -0.2 18 0.27 19 0.1 2 -0.36 20 0.1 21 0.08 22 0.09 23 0.19 24 -0.05 25 -0.15 26 0.03 27 0.47 28 0.71 29 0.28 3 -0.57 38 0.1 4 -0.65 41 0.36 42 0.1 43 0.1 44 0.1 45 0.1 48 0.15 49 0.15 5 -0.57 53 0.5 6 -0.84 7 -0.9 8 -0.37 > 6 > 13 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 7 cation 1 7 donor 1 8 cation 3 4 5 28 anion 5 6 9 10 11 12 rings 6 19 20 21 22 23 25 rings 6 7 9 10 13 15 18 rings 6 8 20 22 24 26 27 rings > 29 > 2 > 0 > 0 > 0 > 0 > 1 > 1 > 045DF05D00000002 > 112.7313 > 66.139 > 10 15 18130775790746101072 10050765 1 18122064466317228365 10411042 1 17905889532979451227 1100329 8 18337107985823168281 11045977 3 18059853995828895408 11524674 6 17632292376386599390 11578080 2 16843588620811855786 11646440 116 18342468044910754585 12011746 2 18408602557088156373 12035758 1 18340219552306120611 12236239 1 17240766164592713052 12498461 61 18337097979473145762 12838862 33 18336811032032359557 13140716 1 18191023615455989217 13402501 40 18343867697379604422 13533116 47 12103575143496679572 14117953 113 18335697235633573069 14790565 3 18266744575900063737 14856354 85 16298394569383437827 14866123 147 18337389452326593147 15042514 8 18264774436258476771 15099037 51 18409452505166856933 15131766 46 15504089876018406438 15537594 2 17894624855631015466 15927050 60 18412542089971525119 17492 89 17905610252055444778 18681886 176 18409162225486720657 19141452 34 18342176708351391758 19319366 153 17748825194166882826 19591789 44 18265896843786981103 20028762 73 18272649091307845023 21033648 29 18059842965830906688 21267235 1 18335989744328116137 21279426 13 18196373615524205804 21781051 124 18042990798926335947 21781055 127 17985014572684934177 21859007 373 18042102320174310125 22122407 14 15357992126448285445 22311459 1 18408322185358903893 23402539 116 18341889718652419534 23558518 356 17828485004803709675 23559900 14 18342455993485820088 23569917 315 18341056311190069479 23569943 247 17984713215956905614 23576562 1 17895756343675413141 283562 15 18270965614240749409 3004659 81 18186527609721279308 3178227 256 18261690220132313409 335352 9 18409167736066352997 3383291 50 18337392742456158435 340366 18 18187931732639401997 34934 24 18408600366085629875 350125 39 18408322160380806629 4015057 19 17774424101114936313 404807 14 15763624896807651206 4073 2 18339642347752032042 484989 97 18192146213208779559 5104073 3 18266181814740516392 5265222 85 18336839705592529134 5364581 5 18055054726474530824 5385378 56 18267031557430958619 58260988 647 16915678998593857502 59755656 215 18411140199781580374 59755656 520 18409443678819581935 6138700 20 18410015394695616327 6669772 16 18200596886895042343 > 551.11 14.58 3.17 0.97 9.87 1.83 -0.1 -1.85 0.12 -3.33 0.3 1.08 0.24 0.39 > 1209.181 > 299.2 > 2 5 10 $$$$