70558178 -OEChem-04262411123D 39 39 0 0 0 0 0 0 0999 V2000 -7.9951 -0.1099 0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 1.7496 -0.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5735 -1.0142 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7686 -0.0585 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7795 -0.3010 -0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -0.7731 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -1.3044 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2781 0.2309 -0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 -0.6124 0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6468 -0.4476 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9068 -0.3399 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8817 -0.2471 1.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7549 0.6632 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 0.2978 -1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1222 0.3905 1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7998 0.5316 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0817 1.3444 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6347 -1.6069 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6415 -1.7211 -0.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6985 0.5449 -0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7094 0.6390 0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8426 0.2977 -0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8545 0.3999 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1883 -1.4715 -0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2045 -1.3644 0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8712 -1.9956 -0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8561 -1.9283 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2034 0.8133 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1899 0.9482 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7673 -1.1115 -0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7152 -1.0444 0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4424 -0.6182 -2.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3977 -0.4526 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6293 0.5065 -2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5846 0.6720 2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9462 2.4294 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6591 1.1023 0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6805 1.0268 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7474 0.5196 0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 39 1 0 0 0 0 2 16 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 12 15 2 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 M END > 70558178 > 0.8 > 1 18 43 104 48 96 108 27 123 117 29 21 24 93 88 38 2 3 129 134 74 31 66 41 68 25 45 122 35 107 20 51 90 34 69 77 50 5 136 59 79 127 70 101 9 44 126 10 16 135 11 64 106 58 57 37 61 6 36 131 86 112 4 15 65 32 42 72 83 124 63 84 39 8 82 13 49 53 133 73 33 138 23 30 76 26 19 40 109 98 60 95 46 120 62 130 128 28 14 137 100 94 125 56 78 110 71 116 54 103 47 81 91 75 97 102 17 132 105 7 80 22 52 118 114 119 87 67 12 92 113 111 121 89 115 99 55 85 > 17 1 -0.65 10 0.06 11 -0.15 12 -0.15 13 -0.14 14 -0.15 15 -0.15 16 0.66 17 0.14 2 -0.57 32 0.15 33 0.15 34 0.15 35 0.15 39 0.5 7 0.14 9 -0.14 > 8 > 4 1 1 acceptor 1 2 acceptor 3 1 2 16 anion 6 9 11 12 13 14 15 rings > 17 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0434A1E200000001 > 21.78 > 20.356 > 10354089 29 16877660176234212078 10688039 33 14923937942910749038 10968037 39 17918274256092065163 11638347 137 15791727486289684376 11724838 91 17458626747877400358 117890 112 18259985967907200923 125118 31 16877941603665797805 12616971 3 13262688070671990099 12714333 28 18413952788699867999 13073987 5 16009016242651360829 13167372 99 17458622272621646589 13533116 47 18337668607736004138 13668630 136 11095885968748190613 13685833 64 7781518118333442790 13862211 1 9655577417892793119 14123256 10 17346881152010759905 14251752 14 12463575050297990555 14251764 18 17603305973039597751 14251764 46 18410855465377930674 14729087 3 18335136484386694125 14933364 13 17346600772841423425 15048467 5 18410011043793245679 15183329 4 14549023177963143503 15348495 7 13984960553297868821 15690457 1 11169915004799952033 15716309 27 11818997392068885939 17834072 8 15626223524172415231 17834076 25 18410856564014073039 20281389 69 18187363208076723797 20645477 70 16056611919870847206 20735858 18 14417849245835255402 21130983 4 18408604768605982025 21150785 3 16702584939163203773 21267235 1 12685083775347488234 221357 26 16343988000983124768 22224240 67 17022619797176247563 23035841 295 9943805591301217013 23081809 10 18409721842803865935 23559900 14 14764048100419363019 246663 6 10519989278958060109 29717793 49 13110966439806339680 300161 21 18409165511057424679 33532 11 9079126548610376196 351380 3 10879993544903503975 4340502 62 15791449318358780842 465052 167 9223227464308778600 5104073 3 15069446160315443612 59682541 35 17749392602332922809 59755656 215 9871755693354566721 6025842 7 17203615857165896262 6438161 24 13182746910154997788 > 338.11 22.99 1.16 0.96 29.53 0.18 -0.01 9.59 0.08 0.13 0 -1.59 0 0.08 > 668.249 > 202.1 > 2 5 10 $$$$