23524189 -OEChem-04232411583D 39 41 0 0 0 0 0 0 0999 V2000 4.0631 -2.4333 0.3257 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8668 -0.0903 -0.6298 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0957 -0.8518 -2.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5715 -2.6463 1.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6695 -2.8514 0.2773 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0481 -3.0315 -0.5619 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0562 -0.6172 0.9376 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6368 -2.0001 1.0703 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6767 -2.8972 0.6019 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9182 2.2489 0.4134 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 0.7732 -0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2252 1.4583 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5329 1.9850 0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0186 1.0481 -0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6903 2.3982 1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 1.4551 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3199 2.6586 1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -0.1668 -1.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6019 1.1834 0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0014 0.0774 0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1184 -0.7087 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1162 0.2461 -0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2633 -0.4278 -1.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2076 2.0466 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2800 -0.1171 -0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3247 1.2606 -0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 0.5418 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3381 2.9365 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 3.1988 0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0695 3.3897 1.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2713 1.7111 0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -0.3845 0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6628 -1.1597 -2.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2546 3.1190 -0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1650 -0.7074 -0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2297 1.7216 -1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6434 -1.4523 -2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0116 -2.2228 2.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3741 -2.9205 -0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 21 1 0 0 0 0 2 7 1 0 0 0 0 2 22 1 0 0 0 0 3 18 1 0 0 0 0 3 37 1 0 0 0 0 4 38 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 39 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 18 2 0 0 0 0 12 15 1 0 0 0 0 12 19 2 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 20 2 0 0 0 0 16 24 1 0 0 0 0 17 30 1 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 25 2 0 0 0 0 22 23 2 0 0 0 0 23 33 1 0 0 0 0 24 26 2 0 0 0 0 24 34 1 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 M END > 23524189 > 0.8 > 1 32 138 175 86 85 72 182 181 135 119 69 120 53 71 147 141 98 82 153 13 149 160 68 162 16 111 114 83 57 132 116 15 177 35 29 92 127 64 65 169 14 110 105 134 25 89 79 118 38 76 52 113 128 117 172 77 173 179 2 20 55 87 136 37 28 95 36 12 18 142 108 96 61 78 161 150 60 58 74 45 163 115 144 40 17 106 104 171 151 63 80 11 90 26 101 9 133 168 50 109 137 99 54 75 152 10 164 124 49 88 73 145 31 154 102 166 131 81 125 51 180 47 66 155 70 41 46 39 165 42 84 158 103 59 129 156 56 19 140 30 7 62 126 157 107 122 123 22 148 91 93 6 27 5 3 130 43 121 34 174 167 159 8 176 146 67 178 170 23 112 33 44 24 97 48 4 94 21 143 100 139 > 36 1 1.49 10 -0.6 13 0.1 14 -0.15 15 -0.15 16 0.1 17 -0.15 18 0.08 19 -0.15 2 -0.09 20 -0.15 21 -0.01 22 0.1 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 0.15 28 0.15 29 0.4 3 -0.53 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.45 38 0.5 39 0.4 4 -0.68 5 -0.65 6 -0.65 7 -0.01 9 -0.4 > 6 > 10 1 10 cation 1 10 donor 1 3 donor 1 4 acceptor 1 5 acceptor 1 6 acceptor 4 1 4 5 6 anion 6 11 12 13 14 15 17 rings 6 11 12 18 19 22 23 rings 6 16 20 21 24 25 26 rings > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 0166F35D00000001 > 67.0187 > 50.828 > 117089 54 17984435048553393270 11796584 16 18040986350652952177 12107183 9 17766284167574165648 12236239 1 18413392037791379532 12422481 6 17274270439737575965 12553582 1 17917135148733935532 12788726 201 17917998247765197696 13009979 54 17915177919626552520 13533116 47 18412543210561453872 13782708 43 17603299332603693555 13862211 1 17775564278057411029 14251764 30 18334293206260062553 15352257 5 18187648041902768827 15475509 35 18267869578543552003 15510800 12 17387425743125004523 15537594 2 18201997763455276148 17492 89 18269275651930941726 1813 80 18261395512108474564 19319366 153 18268988855658524204 20567600 75 18259979393071848461 20645477 70 18187079530035108352 21267235 1 18202291316181223020 21421861 104 18202289069686064756 235170 7 17167858630527644092 23559900 14 18187920725387333957 25222932 49 18269555107745626502 3004659 81 18337950087455431588 312423 11 18341335470856718556 314194 84 18343577473538557493 33382 64 18335143128500615177 3459 39 15195024712746256995 345986 75 17917710180024133585 34797466 226 16805327720942098309 351380 3 18131631196683970012 392239 28 18338242561743790915 44880168 125 16630530596563414620 46194498 28 17603865637227468212 465052 167 18201445817087143965 5104073 3 18130788923485130537 7970288 3 17974564698368911018 8863177 126 18123754411969023011 > 496.7 14.95 3.42 1.36 8.43 1.71 -0.17 10.58 1.32 -2.25 1.39 0.66 0.36 -0.56 > 1051.166 > 279.1 > 2 5 10 $$$$