67675857 -OEChem-05102415383D 64 67 0 1 0 0 0 0 0999 V2000 0.9513 -3.6098 -1.2022 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7906 -1.7781 -2.5042 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3144 -3.4349 -2.2962 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9012 0.8099 1.3503 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7553 2.8699 -0.5718 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5758 3.6188 -1.7611 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2715 -0.2781 -0.7052 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -2.2400 -0.2027 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5164 0.3931 0.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -1.5473 -0.1565 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7909 -3.0715 -0.4530 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8635 -2.8671 0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0801 -1.9570 -0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3903 -1.4531 0.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6493 -2.5810 -0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0447 -0.4504 1.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1764 -1.2542 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7649 0.6979 1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2967 -0.9044 -0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 -2.7943 -1.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2516 -0.1776 -2.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 0.8079 0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1857 -0.4093 2.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6686 1.8898 2.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -0.0349 -0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6909 -1.8241 1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 2.0580 -0.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0793 0.7762 3.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8103 1.9069 3.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6880 0.6144 0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7038 -1.1747 2.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4342 3.0414 -0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8491 2.2521 -0.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2024 0.0445 1.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2612 3.4294 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 4.2189 -1.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3256 4.4128 -1.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6408 -1.5119 0.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 -4.1164 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7074 -3.5457 0.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4534 -3.1384 1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2327 -1.8103 -1.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2261 -3.0356 -0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -1.3315 0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8144 -1.3164 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1402 1.0351 -0.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2163 -1.1586 -2.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3796 0.3861 -2.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1544 0.3487 -2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 -1.2796 3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 2.7710 1.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2888 0.4177 -1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3093 -2.7720 1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4167 0.8142 4.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7114 2.8176 3.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0765 1.5634 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1039 -1.6179 2.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5735 1.4792 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9911 0.5501 2.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2035 -1.6331 -3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 4.9933 -1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6407 5.3318 -2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 3.6520 -0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 2.8424 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 20 1 0 0 0 0 2 60 1 0 0 0 0 3 20 2 0 0 0 0 4 22 2 0 0 0 0 5 32 1 0 0 0 0 5 63 1 0 0 0 0 6 35 1 0 0 0 0 6 64 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 44 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 46 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 17 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 16 18 1 0 0 0 0 16 23 2 0 0 0 0 17 25 2 0 0 0 0 17 26 1 0 0 0 0 18 24 2 0 0 0 0 19 45 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 23 50 1 0 0 0 0 24 29 1 0 0 0 0 24 51 1 0 0 0 0 25 30 1 0 0 0 0 25 52 1 0 0 0 0 26 31 2 0 0 0 0 26 53 1 0 0 0 0 27 32 2 0 0 0 0 27 33 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 30 34 2 0 0 0 0 30 56 1 0 0 0 0 31 34 1 0 0 0 0 31 57 1 0 0 0 0 32 36 1 0 0 0 0 33 35 2 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 35 37 1 0 0 0 0 36 37 2 0 0 0 0 36 61 1 0 0 0 0 37 62 1 0 0 0 0 M END > 67675857 > 1.4 > 1 182 40 10 166 147 107 28 116 97 132 211 185 168 23 82 200 136 65 105 85 18 102 19 33 48 183 192 135 197 73 153 158 169 193 210 159 184 54 199 52 22 190 174 72 120 213 165 198 79 104 177 118 15 58 113 163 86 156 154 41 148 134 89 57 173 71 46 106 216 176 179 42 126 130 68 44 188 74 172 161 191 98 93 80 208 117 195 56 92 181 25 20 142 59 128 171 196 119 217 83 214 212 76 155 47 43 205 55 160 60 95 35 16 215 17 127 207 145 131 138 209 187 27 114 111 218 121 144 202 189 167 129 194 63 180 29 62 64 91 204 206 53 143 84 146 32 133 115 8 186 101 112 170 7 37 164 150 99 6 149 100 123 21 70 45 137 140 203 90 151 175 139 201 110 78 26 75 87 94 103 162 88 61 2 39 96 38 125 36 122 12 14 141 3 124 51 69 24 30 178 66 34 108 67 81 157 4 49 50 152 77 13 5 31 109 11 9 > 54 1 -0.57 10 0.36 11 0.36 12 0.18 13 0.14 14 -0.18 15 0.57 17 -0.14 18 -0.15 19 -0.3 2 -0.65 20 0.66 21 0.3 22 0.54 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 0.09 28 -0.15 29 -0.15 3 -0.57 30 -0.15 31 -0.15 32 0.08 33 -0.15 34 -0.15 35 0.08 36 -0.15 37 -0.15 4 -0.57 44 0.37 45 0.15 46 0.27 5 -0.53 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.53 60 0.5 61 0.15 62 0.15 63 0.45 64 0.45 7 -0.66 8 -0.73 9 0.03 > 11 > 14 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 donor 1 6 donor 1 8 donor 1 9 cation 1 9 donor 3 2 3 20 anion 5 9 14 16 18 19 rings 6 16 18 23 24 28 29 rings 6 17 25 26 30 31 34 rings 6 27 32 33 35 36 37 rings > 37 > 2 > 0 > 0 > 0 > 0 > 1 > 18 > 0408A6D100000001 > 95.2857 > 71.2 > 10010297 198 18115032884038077962 10675989 125 16312999059796772429 11513181 2 17560816445712121454 12107698 1 18261683683207997899 12166972 35 18124861615635728591 12422481 6 18265346010052145296 12788726 201 17895770499887489682 13009979 54 17984989442488140475 13560911 43 18190467253977437163 13965767 371 17622755040654653899 14068700 675 17985811864506810215 14674994 50 18058146428348129773 14840074 17 18336281084507128064 14844126 61 18044076991538578640 15420108 30 18124908804362385688 15775530 1 17619076032136058630 16993438 75 18043518418093879460 18336668 15 18201147875337695787 19319366 153 16825032347737818143 20764821 26 18335139829712680668 21133410 90 17344605236731498821 2132832 1 18127685152689476063 469060 322 18409166593098844530 513202 73 18044091259768284426 5171179 24 17547008533408206639 6004065 56 18410572847824628309 > 711.28 10 5.36 2.86 12.82 3.58 1.54 -3.4 6.1 -2.2 -4.31 -2.32 0.37 -1.97 > 1548.745 > 385.5 > 2 5 10 $$$$