60622718 -OEChem-04262410503D 56 59 0 0 0 0 0 0 0999 V2000 0.1136 -4.0393 0.4003 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 0.5010 2.8605 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 0.8372 -1.1712 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6149 -0.8253 -1.2211 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7262 0.7769 0.6525 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1363 -0.4558 -1.9224 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3611 -1.5409 0.8639 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 2.6425 2.1681 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1822 0.1821 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7013 0.1149 -0.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5644 2.2289 0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 0.0127 1.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6725 -1.5038 1.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1953 2.6333 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5024 -2.2496 1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5189 -0.0715 -2.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0091 -1.9144 -1.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1006 2.5055 1.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0183 3.1361 -1.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5558 -2.3817 0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8836 -2.0109 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4361 -3.6147 0.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.8804 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -0.3858 -0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 3.5107 -1.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1468 -0.6926 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4269 -1.3351 -0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9011 -2.9808 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 3.3831 -0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1934 -2.6436 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2555 0.5513 -1.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2929 2.7492 1.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8004 0.7818 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7286 -0.8023 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1249 -0.4228 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0758 1.1438 -0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7191 2.6203 1.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3501 2.6760 0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8955 -1.8532 2.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5661 -1.7406 1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8372 -0.4821 -3.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2155 -0.4205 -1.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6086 1.0175 -2.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6067 -2.3723 -1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3403 -2.3368 -2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -2.2310 -1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2344 2.1239 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8619 3.2407 -1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1969 -4.3607 1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 0.0679 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3915 3.9013 -2.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7547 -4.0108 0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3331 3.6785 -1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9828 -3.3864 -0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8828 1.1909 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4539 0.7913 -2.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 22 1 0 0 0 0 2 12 2 0 0 0 0 3 24 1 0 0 0 0 3 31 1 0 0 0 0 4 27 1 0 0 0 0 4 31 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 15 1 0 0 0 0 7 20 2 0 0 0 0 8 32 3 0 0 0 0 9 10 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 11 14 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 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 18 2 0 0 0 0 14 19 1 0 0 0 0 15 22 2 0 0 0 0 16 41 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 17 46 1 0 0 0 0 18 23 1 0 0 0 0 18 47 1 0 0 0 0 19 25 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 21 26 2 0 0 0 0 21 28 1 0 0 0 0 22 49 1 0 0 0 0 23 29 2 0 0 0 0 23 32 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 29 1 0 0 0 0 25 51 1 0 0 0 0 26 50 1 0 0 0 0 27 30 1 0 0 0 0 28 30 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 M END > 60622718 > 1.6 > 1 43 26 107 31 130 80 91 23 42 102 6 124 11 49 41 79 14 104 86 112 83 69 10 134 92 56 119 60 76 89 59 135 93 70 75 40 63 55 36 8 39 64 121 81 5 131 50 30 65 77 98 51 95 67 58 100 82 61 15 57 85 96 13 111 114 74 113 99 48 53 106 105 103 4 84 27 34 52 78 122 71 110 88 136 62 17 29 101 109 128 123 46 117 38 115 25 87 9 45 127 118 12 37 24 3 97 120 73 2 133 132 21 125 66 19 126 20 33 18 32 44 16 137 35 47 108 22 94 7 54 138 116 72 28 90 68 129 > 40 1 -0.08 10 0.27 11 0.44 12 0.57 13 0.24 14 -0.14 15 0.05 16 0.27 17 0.27 18 -0.15 19 -0.15 2 -0.57 20 0.33 21 0.05 22 -0.11 23 0.07 24 0.08 25 -0.15 26 -0.15 27 0.08 28 -0.15 29 -0.15 3 -0.36 30 -0.15 31 0.56 32 0.48 4 -0.36 47 0.15 48 0.15 49 0.15 5 -0.66 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 6 -0.81 7 -0.57 8 -0.56 9 0.3 > 9.6 > 10 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 6 cation 1 7 acceptor 1 8 acceptor 5 1 7 15 20 22 rings 5 3 4 24 27 31 rings 6 14 18 19 23 25 29 rings 6 21 24 26 27 28 30 rings > 32 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 039D077E00000001 > 73.715 > 50.904 > 10032420 55 18264200327352169388 11513181 2 18054238622221106110 12156800 1 15891558787132115504 12645989 146 18200317594178501214 13122387 1 18265071273968714690 13402501 40 18335998470947502240 13615921 28 17202505371548526072 13911987 19 18260275131002375167 14068700 675 17988917843247437201 14931854 50 18336832996188916582 15439362 3 18264763432420746869 17492 54 18259983760547081951 20764821 26 18119538883844739532 20775438 99 17982702437271058119 21344244 246 18197199563901032911 22182313 1 18191022511791806371 238918 7 17841135969035614944 437795 51 18259704498338553679 463206 1 18271241750625397277 6371009 1 18116708522278154778 66674814 147 17977633705777417933 > 624.86 10.42 5.48 2.08 3.38 0.5 -0.36 -3.28 8.08 -2.02 -0.76 1.75 0.54 0.6 > 1335.553 > 351.2 > 2 5 10 $$$$