53384795 -OEChem-05102418593D 51 53 0 0 0 0 0 0 0999 V2000 2.2094 1.1432 1.5713 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1736 -2.0789 -1.4287 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6977 -2.7881 0.6782 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 -0.5061 -0.1014 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1111 0.8153 -0.7392 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4468 -0.9025 0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5934 -0.9744 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3994 0.3687 0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7034 -1.2927 0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7816 -1.6861 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0923 -1.8628 0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6222 -2.0989 0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6856 -0.4464 1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8754 -1.7505 -0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3531 -0.8383 1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5429 -2.1423 -0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6135 0.1770 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 -1.6069 -0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3044 -0.1436 -2.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8245 -0.4301 2.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7682 2.5601 0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1926 2.1833 -0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9206 3.9082 1.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7548 3.1932 -1.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3583 -2.2257 -0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 4.8879 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9033 4.5372 -1.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4684 -2.0463 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6598 -0.8662 -0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7554 1.2131 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2955 0.8396 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5438 -1.4567 1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0309 -2.9464 0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7579 -3.1754 0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0679 0.2136 1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4114 -2.1429 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7818 -0.4817 2.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -2.8037 -1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1474 -0.5333 -0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5636 -2.0477 -1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9372 -0.4738 -3.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2636 -0.2127 -2.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5198 0.9150 -2.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3171 0.2257 2.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9856 -0.9149 2.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5366 -1.2150 1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3691 4.1893 2.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3036 2.9304 -2.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5874 5.9373 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5656 5.3129 -1.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0562 -2.4789 -1.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 25 1 0 0 0 0 2 51 1 0 0 0 0 3 25 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 17 2 0 0 0 0 5 22 1 0 0 0 0 6 13 2 0 0 0 0 6 14 1 0 0 0 0 7 19 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 20 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 18 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 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 16 2 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 18 25 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 23 26 1 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 M END > 53384795 > 1 > 1 2 17 20 12 16 9 3 7 15 4 22 14 6 21 10 18 8 13 5 11 19 > 35 1 -0.08 10 0.03 11 0.14 12 -0.18 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 0.33 18 0.06 2 -0.65 21 0.04 22 0.23 23 -0.15 24 -0.15 25 0.66 26 -0.15 27 -0.15 3 -0.57 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 4 -0.84 47 0.15 48 0.15 49 0.15 5 -0.57 50 0.15 51 0.5 6 0.1 7 0.37 8 0.37 9 -0.09 > 8 > 8 1 2 acceptor 1 3 acceptor 1 4 cation 1 5 acceptor 3 2 3 25 anion 5 1 5 17 21 22 rings 6 21 22 23 24 26 27 rings 6 6 10 13 14 15 16 rings > 27 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 032E965B00000001 > 77.8047 > 40.725 > 102385 1 17977108190796917450 10930396 42 18192684853715585922 10940486 97 18059009605195757342 11331351 85 17845665719938024673 11582403 64 15119270813723567072 11640471 11 17979632660871869897 12166972 35 18272647965746571907 12616971 3 18060426833113712219 12788726 201 18116710699979548714 13134695 92 18409452496566522230 13583140 156 17894340087010974851 13590594 115 18338239267150070073 13726171 33 14780098659154924047 14068700 675 17988641865501675201 14289585 56 18198042712735281383 14347329 18 16444172128935738727 14556957 393 18045812047321385894 14849402 71 18337404845240819073 14955137 171 18337969916671078114 15021287 119 18343028770371816195 15081414 286 18409166653534484752 15198563 99 18193849137338905876 15439362 3 18266177425405544248 16988056 13 18336532902334350892 16994733 274 15285365015931949390 17492 89 18196931295559016743 17980427 23 17775284962926672639 1813 80 18343028753081300566 18335252 114 18410847734394671765 20642791 105 17901658277570471202 21033648 29 17530954809729317711 21285901 2 17986685761940383854 21641784 216 17971493822827289598 22849341 161 18340217322737948681 23559900 14 18339635745780955035 23929065 36 18049137997007434906 24771293 8 18201710783016352898 283562 15 18118408341738009642 340366 18 18272082837817918679 4017518 198 17626105610164395108 4394409 98 17392226279695786684 4409770 3 17905319637888747662 474 4 18191576669862542523 5081480 168 18410017645279559349 5171179 24 18340752785038507460 5969126 39 18267302037491864374 6086070 43 18188473732275512115 9971528 1 18342731936217398138 9981440 41 17474942602948663576 > 537.8 12.14 5.29 1.69 8.82 7.89 0.19 -9.74 1.47 -8.71 0.84 1.88 0.29 0.34 > 1131.921 > 304.2 > 2 5 10 $$$$