58470381 -OEChem-05072413033D 41 43 0 0 0 0 0 0 0999 V2000 1.1905 -2.5647 0.2268 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 0.5752 0.7347 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1247 2.0640 1.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1878 0.6456 -0.6791 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7529 -0.2753 -0.8778 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -0.7085 -0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8319 -0.5828 0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4185 -1.9481 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1236 -1.0338 -1.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6826 -1.1680 -0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6881 -0.0191 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0919 0.1256 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 0.0877 -0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -0.0715 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7679 -1.8172 0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5632 -2.5201 0.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 1.0585 0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2911 -0.5861 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1071 1.5200 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5206 1.4909 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5054 0.0965 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3215 2.2026 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8189 2.2207 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5543 1.2079 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6311 -2.0048 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 -0.6562 -2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7049 0.9272 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8606 -0.8987 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4801 0.4467 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6311 -2.2679 1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5186 -3.4801 1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9444 0.7100 1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6123 2.0507 0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3282 -1.6720 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2015 2.1175 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4332 -0.4688 -0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3214 3.2894 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1916 2.4280 0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7086 3.1699 -0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5713 1.6349 -0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 2.1667 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 14 2 0 0 0 0 3 24 1 0 0 0 0 3 41 1 0 0 0 0 4 24 2 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 11 27 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 24 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 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END > 58470381 > 0.8 > 1 82 63 22 90 83 23 130 116 9 17 123 8 95 113 61 115 117 45 71 119 41 46 80 88 36 47 78 126 40 122 60 101 48 73 125 64 120 103 66 62 105 13 65 53 2 44 84 94 74 18 127 35 30 24 4 132 77 79 33 26 16 27 106 32 10 111 112 31 55 97 98 50 89 6 37 5 12 72 108 70 69 51 86 58 42 14 43 110 124 93 7 15 85 39 3 54 28 38 20 114 21 92 129 109 25 76 49 100 11 52 19 68 34 87 102 67 81 128 91 59 29 56 75 107 104 96 57 131 118 121 99 > 30 1 -0.08 10 0.2 11 -0.15 13 0.06 14 0.45 15 -0.15 16 -0.15 17 0.06 18 -0.15 19 -0.15 2 -0.57 20 -0.14 21 -0.15 22 -0.15 23 0.14 24 0.66 27 0.15 3 -0.65 30 0.15 31 0.15 34 0.15 35 0.15 36 0.15 37 0.15 4 -0.57 41 0.5 5 -0.57 6 0.23 8 0.04 9 0.24 > 6 > 8 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 3 3 4 24 anion 5 1 5 6 8 10 rings 6 12 18 19 20 21 22 rings 6 6 7 8 11 15 16 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 037C2FED00000001 > 53.9259 > 40.728 > 10 15 18113902645691416201 10883706 163 18113899359799764748 11408170 108 12612751311961526921 125118 31 18336548326495586908 12838862 33 18113890543075287957 12895837 130 18271805782277412356 13402501 40 18341892995639106936 13540713 4 18265917824497487611 13540713 5 16734975563706806438 13668630 136 7925638808631799788 13911987 19 16917069953880539639 14123256 34 9943801196937841125 14178184 131 11458723715367995049 14251764 18 18040432213640151546 14347332 77 11815628432084741526 14347424 109 18261948567121663226 14556957 393 15267074678241714224 14729087 3 18410572889956123597 14739800 52 18337942407420878195 14767858 380 13830136087670741356 15183329 4 15913329083023310376 15238133 3 18187373168564767652 15289351 153 18271240513922580096 15461852 350 18131351959353403598 15510800 12 11242245221771105480 15778101 99 18408887360464418506 16989713 51 17416677150169644583 1768 4 18342185449554332161 17980427 23 17968099780018053590 18335252 114 17131832067308788456 20105231 36 12175611907391744829 2026 5 8214150654785637368 20281389 69 18333731304109979852 20554085 129 18059561491550684122 21033648 29 18200861994473352992 21130935 74 18260267421367728683 21150785 3 16272207487669352749 21298829 104 18411705348679454001 21307412 95 11023811865758472661 21756936 100 18410851096652931535 22224240 67 18186237333565223006 23035841 295 10087922973461763575 23559900 14 18338522936881689439 246663 6 9943805595111069733 24771293 8 18334858299439543117 2838139 119 18271802466852965804 2916195 48 18411138017943104727 3411729 13 18333730183261315514 34797466 226 17846220995633999855 4073 2 18261117373983930883 465052 167 10953744391512615010 5104073 3 18041850485299009627 5385378 56 18113897118332770130 543368 44 18342176627728207833 559249 180 9151170949014484393 5758199 1 18334859398481399015 5937810 71 17632021845493377017 59682541 35 18261121785890315905 59682541 52 17060068000015169966 5969126 39 18125719230785336767 6058803 2 16519649448986719566 6327066 14 18413106160462179895 636775 72 18411981377374077808 636775 8 8214150685836131080 > 475.17 22.8 2.57 0.87 23.11 0.48 0 -22.15 -1.49 -1.19 -0.56 0.7 0.08 1.36 > 1014.85 > 265.8 > 2 5 10 $$$$