54412674 -OEChem-05072404143D 63 65 0 1 0 0 0 0 0999 V2000 4.0500 0.9103 -1.7201 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0694 4.1670 2.5846 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2749 1.9097 2.5083 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 0.2320 1.4139 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8047 1.9081 0.3315 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7284 -1.7620 -1.0103 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9763 -2.1215 1.3182 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5325 3.9029 -0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3679 3.2132 0.7993 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6900 3.1067 -0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 2.1736 -1.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8926 3.3021 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -0.6861 -0.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9484 1.6313 -1.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9926 0.6299 -0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9511 1.7973 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 1.4359 -2.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0219 2.5644 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5621 0.5025 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 3.0142 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7806 3.0494 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3829 -2.4636 0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 -0.2020 0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.1084 -2.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1374 -1.4552 -0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 -3.4747 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 -1.9601 -1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9400 -2.1225 0.8028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0908 -4.1800 1.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6082 -2.8292 2.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6554 -3.1326 -1.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6004 -3.2950 0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6794 -3.8572 2.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4582 -3.8000 -0.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2166 4.8978 0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1241 4.0862 -1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 3.8644 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3128 2.0128 -2.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9741 4.0387 0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1942 -0.6156 -1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4868 -0.8690 -0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7337 1.4369 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5087 0.5524 0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 0.7098 -2.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 2.7700 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7325 -0.1616 -1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1498 0.7288 -1.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 3.8515 -0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6586 2.8296 -1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1586 3.3795 0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4816 -1.4740 -3.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0196 -1.9558 -2.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3333 -3.1408 -2.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9594 -3.7603 -0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 4.0022 3.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 -1.4768 -2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0662 -1.7491 1.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -4.9798 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 -2.5385 3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5442 -3.5269 -2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2254 -3.8150 1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4194 -4.3934 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9722 -4.7130 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 20 1 0 0 0 0 2 55 1 0 0 0 0 3 20 2 0 0 0 0 4 23 2 0 0 0 0 5 9 1 0 0 0 0 5 16 2 0 0 0 0 6 13 1 0 0 0 0 6 22 1 0 0 0 0 6 24 1 0 0 0 0 7 22 1 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 20 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 17 1 0 0 0 0 11 38 1 0 0 0 0 12 18 2 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 19 23 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 26 2 0 0 0 0 23 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 26 54 1 0 0 0 0 27 31 1 0 0 0 0 27 56 1 0 0 0 0 28 32 2 0 0 0 0 28 57 1 0 0 0 0 29 33 2 0 0 0 0 29 58 1 0 0 0 0 30 33 1 0 0 0 0 30 59 1 0 0 0 0 31 34 2 0 0 0 0 31 60 1 0 0 0 0 32 34 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 M END > 54412674 > 1.2 > 4 68 79 132 178 206 131 88 168 145 87 196 121 188 167 228 205 192 130 209 133 180 227 211 190 105 163 166 154 30 222 219 151 165 179 94 217 149 142 80 124 101 122 22 207 110 169 20 174 2 98 186 220 3 215 129 86 58 176 96 194 155 102 161 47 112 19 127 173 152 111 146 113 156 216 60 48 181 97 66 160 162 56 76 81 45 191 138 184 28 226 82 158 139 204 199 157 85 38 126 77 140 51 164 150 221 8 218 63 183 73 92 116 107 32 201 223 54 182 203 41 33 171 123 141 147 144 213 115 5 59 93 197 208 95 13 120 100 193 16 153 71 44 212 109 119 53 40 125 62 106 89 49 25 210 12 198 29 34 143 91 136 42 202 117 229 128 83 46 26 214 72 185 99 70 103 118 21 177 15 224 225 78 39 84 31 37 65 137 57 104 50 172 90 69 64 134 170 195 114 175 23 17 67 9 108 24 10 36 18 74 61 135 148 1 200 187 159 189 55 27 43 6 75 7 35 52 11 14 > 48 1 -0.36 10 -0.14 11 -0.15 12 -0.15 13 0.37 14 0.08 15 0.28 16 0.33 17 -0.15 18 -0.15 19 0.12 2 -0.65 20 0.66 21 0.06 22 0.41 23 0.42 24 0.37 25 0.09 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.57 30 0.16 31 -0.15 32 -0.15 33 -0.15 34 -0.15 38 0.15 39 0.15 4 -0.57 44 0.15 45 0.15 5 -0.7 54 0.15 55 0.5 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.84 60 0.15 61 0.15 62 0.15 63 0.15 7 -0.62 8 0.14 9 0.31 > 12 > 11 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 7 acceptor 3 2 3 20 anion 6 10 11 12 14 17 18 rings 6 25 27 28 31 32 34 rings 6 7 22 26 29 30 33 rings > 34 > 1 > 0 > 0 > 0 > 0 > 1 > 5 > 033E458200000004 > 115.7252 > 55.892 > 10074138 170 17272025168169550337 10581848 197 16843582002668348234 10622 236 18261951847426858310 10908659 184 18271814544597278567 10928967 22 17467932770151589178 11227150 75 17025123290969953666 12975358 362 8862125907598739639 131258 38 18052529160427296494 13383661 66 17179142098352655067 14480069 147 18260556627690967355 15001296 14 18336266726399958676 15320291 9 18048591513099770307 15347590 135 17987513896096622024 16090146 7 17622441637118626329 19315092 285 18410011040026084980 20775530 9 18335148565686475605 208703 8 18341896294216234374 21049683 118 15331535428595444769 21133410 52 18114457861438288458 21458453 9 14333116512191708175 21585483 132 18056187214961731167 21703447 108 18339919419754586188 21792938 131 18338510976300019419 25222932 49 18408605864350534230 4112364 45 11240005589800053899 44344687 77 18116169916584581035 444735 86 18186800279497957582 45266715 3 17764857384033750351 50009960 94 17970042527476584274 50080093 196 17898855634383100195 6201460 15 18262516966313144179 6636735 143 14189309179489135671 66674814 147 17822014207296998362 6697151 62 17988627637278057709 > 661.28 16.2 7.37 2.36 15.27 0.96 0.83 23.03 -2.84 -0.47 2.69 -1.88 0.25 -4.05 > 1401.069 > 367 > 2 5 10 $$$$