70519276 -OEChem-04262415433D 54 57 0 1 0 0 0 0 0999 V2000 -0.5380 1.4954 1.8380 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2968 2.4583 0.8627 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4983 2.4666 -0.5608 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4819 0.4033 -0.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0802 -0.9666 0.6851 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.6796 -2.1545 0.6455 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 -1.1661 -0.8592 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5371 -0.6931 0.7439 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2119 -0.2232 0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.4254 0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5611 -2.8259 1.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1926 -0.3916 0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7205 0.0189 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2138 -1.0653 -0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 -0.5200 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4373 0.8443 1.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7275 0.7377 0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9805 -0.1352 -1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5467 0.8276 0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 1.4129 1.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0714 1.3701 0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3209 -2.4644 -1.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0667 0.5189 -1.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6328 1.4819 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 -0.5563 -0.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8928 1.3276 -1.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1298 0.6263 -0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2652 -3.5487 -0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0523 2.0298 -1.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4989 1.1168 -0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5146 -0.4344 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2057 -0.3782 -0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1147 0.8576 0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4243 -2.8904 1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1536 -2.8152 -0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6935 -3.9100 1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5741 -2.5922 2.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6846 -2.4281 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9789 -2.0073 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3531 -0.7623 -1.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3570 0.9587 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8763 2.3792 1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4124 -2.4545 -2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1288 -2.7112 -2.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2582 0.3921 -2.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2678 2.1111 0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5409 -1.1448 -1.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2133 -3.6018 0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4746 -3.4075 0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1021 -4.5225 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7447 3.0163 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4549 1.4578 -2.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8686 2.1576 -0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4016 2.8339 -0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 21 2 0 0 0 0 3 30 1 0 0 0 0 3 54 1 0 0 0 0 4 30 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 38 1 0 0 0 0 7 15 1 0 0 0 0 7 22 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 23 1 0 0 0 0 18 40 1 0 0 0 0 19 24 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 26 2 0 0 0 0 23 45 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END > 70519276 > 0.8 > 1 8 30 17 9 15 2 33 25 21 32 22 19 18 4 6 20 24 3 34 5 31 27 26 12 16 7 23 11 28 14 13 10 29 > 38 1 -0.19 10 0.37 11 0.27 12 0.1 13 -0.14 14 -0.15 15 0.1 16 0.19 17 0.09 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 0.47 22 0.37 23 -0.15 24 -0.15 25 -0.05 26 -0.14 27 0.03 29 0.14 3 -0.65 30 0.71 38 0.36 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 45 0.15 46 0.15 47 0.15 5 -0.84 54 0.5 6 -0.9 7 -0.57 8 0.41 9 0.37 > 5.2 > 12 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 6 cation 1 6 donor 1 7 cation 3 3 4 30 anion 6 12 14 15 16 17 20 rings 6 13 18 19 23 24 26 rings 6 5 6 8 9 10 11 rings 6 7 15 17 21 25 27 rings > 30 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 043409EC00000001 > 98.232 > 60.986 > 10 15 17313103047637835777 105312 117 18040151817154218083 10675989 125 18263366884669516770 10693767 8 17346047663027733134 10835480 77 18410858771859170454 11135926 11 18272382966122172106 11646440 116 12829483784079358598 11719270 70 18272369772584142310 12218070 45 12468938511163901001 12539765 74 17095815390961755818 12788726 201 17988368057136598913 12838862 33 18059849598394385432 13668630 136 15123510315527153613 14117953 113 18413113853792962860 14856354 85 14996291344605546865 14931854 50 18272939288587290020 15064981 113 16270796707811209285 15183329 4 17632293450486885077 15238133 3 15502381114357019103 15274700 147 15736025496967217509 15276724 80 18269556048934626021 15475509 35 12247406640403002924 16994733 274 17605275275917774052 17349148 13 14620799331679478599 18222031 100 15267340708394818563 18608769 82 18263651826513147027 18681886 176 15410609307277652946 20105231 36 11530476706536244880 20715895 44 18334016103285843708 21033648 144 18409731742808842167 21033648 29 17676774189188586695 21279426 13 18411709772179095498 21424621 283 17530965782611298785 21756936 100 16515685572208001179 221357 26 18201994383812379657 23559900 14 18342459287456418816 23569914 152 16909772280263681452 255183 451 17557717863490402598 3004659 81 15554157130289751677 3882209 13 17690273807913228614 4073 2 18335990851575591163 465052 167 9583517624847343032 474113 269 18267300942644897686 5718773 13 11383533626278005173 57527295 17 18341602750808948987 59682541 52 17917422087098580567 59755656 215 18412549799600390156 6009941 240 18260552246470949738 6376802 90 18261399991522201627 > 577.56 20.14 2.95 1.45 12.19 1.88 -0.18 -13.76 -9.59 -1.87 0.13 1.37 -0.1 2.4 > 1257.533 > 314.9 > 2 5 10 $$$$