25288291 -OEChem-05052411193D 54 56 0 0 0 0 0 0 0999 V2000 -1.3537 2.4374 -0.4258 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8519 2.1627 1.8125 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -0.1864 0.7951 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6949 -1.3410 -1.4171 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5334 0.3194 0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 0.3306 -0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0404 -0.5073 1.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7743 -0.3305 -0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9334 0.6986 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3656 -0.1096 1.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 1.7421 0.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8937 -0.3392 0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6727 0.1407 1.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1414 -0.9786 0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7306 -0.3780 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7523 3.7890 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0943 -0.1972 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3434 -2.3515 0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 -1.7298 0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3856 0.4928 -0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2491 -0.7886 -0.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4982 -2.9430 -0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1991 4.4198 -1.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0368 -2.1570 -0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3512 -0.0339 -1.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 -2.1615 -0.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 1.0221 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 -0.6651 -1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0305 -1.5756 1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6977 -0.3968 2.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5614 -1.3621 -0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1194 0.1822 -1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6336 0.6106 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9381 1.7498 0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3579 0.8956 2.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6645 -0.8031 2.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1541 0.6703 1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6166 -0.8958 1.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8646 -0.3286 2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 1.2191 1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 3.7982 0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9054 4.3490 0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9469 0.8731 -0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6074 -2.9715 0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5655 -2.4365 0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1571 1.5529 -0.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9908 -0.1803 -1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6552 -4.0121 -0.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3881 4.4006 -2.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 3.8588 -1.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5118 5.4562 -1.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3277 -3.2014 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8909 0.6032 -2.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3501 -2.6220 -1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 11 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 24 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 23 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 21 1 0 0 0 0 17 43 1 0 0 0 0 18 22 2 0 0 0 0 18 44 1 0 0 0 0 19 24 1 0 0 0 0 19 45 1 0 0 0 0 20 25 2 0 0 0 0 20 46 1 0 0 0 0 21 26 2 0 0 0 0 21 47 1 0 0 0 0 22 26 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 M END > 25288291 > 1 > 1 55 49 19 35 58 36 28 33 54 42 50 29 8 57 23 5 17 39 4 10 47 40 13 59 31 34 9 48 41 20 14 11 37 25 30 21 53 3 6 18 45 46 15 2 52 56 51 22 7 27 43 38 16 44 32 12 26 24 > 31 1 -0.43 10 0.27 11 0.66 12 0.14 13 0.41 14 -0.14 15 -0.14 16 0.28 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 -0.15 24 0.16 25 0.16 26 -0.15 3 -0.81 4 -0.62 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 5 0.06 52 0.15 53 0.15 54 0.15 9 0.27 > 9.2 > 6 1 2 acceptor 1 3 cation 1 4 acceptor 6 14 17 18 21 22 26 rings 6 3 5 6 7 9 10 rings 6 4 15 19 20 24 25 rings > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0181DE6300000001 > 60.6085 > 30.446 > 10 15 9799690424215329775 10595046 47 18333735689730473054 10692045 39 9366806073668067116 10906281 52 12757433800038079398 11056379 131 18336827481313991549 11315621 246 18410010996780961173 11445158 3 16988555857559522992 12516196 113 18336822099962406883 12788726 201 18114170896622214873 12954195 1 18337953363866930672 13009979 54 18271534208145026001 13540713 4 18128796626102196568 13540713 5 17533202069182296976 13617811 41 18261387879956259654 13673619 4 17989489632248802690 13782708 43 17775002392643929670 14068700 675 18260824912575309316 14251764 30 18131631222453883935 14347332 77 18410290268687303642 14508225 48 18334576867117326829 14556957 393 17967829240001601012 15021287 119 14764622010659617913 15183329 4 17240196646869632623 15198563 99 18334293133045990949 16087824 20 18263359189365099605 16994733 274 14634854333177853175 18222031 100 18339355365888516499 20715895 44 11386362647725466302 21267235 1 18337675312918171331 21304303 172 18272937112089092473 21424621 283 7925645422443813543 21641784 216 17603575305716852613 22182313 1 17844218836099111728 22224240 67 9439411237855834799 23352939 185 17095235930209803677 23522609 53 17842592688466525472 23559900 14 18337106886000193889 23845131 108 12459127448186168858 249057 25 17458900441238287536 25147074 1 17387401347055914128 255183 451 18121215639894989775 266924 1 17750505191977632609 2838139 119 12973878264693062926 2916195 48 10737280247354884851 3004659 81 18114459054088061078 4046055 25 18334011722424633069 437815 12 18201434813865916307 46194498 28 18201721769680150900 465052 167 17561085838845340902 59755656 215 18413387631181450670 59755656 520 17983580697874367969 7237137 82 17968087591206627333 > 513.37 16.9 3.63 1.43 8.4 4.44 0.29 -15.49 -7.76 -4.85 -1.2 0.83 0.31 0.39 > 1080.232 > 286.5 > 2 5 10 $$$$