22833525 -OEChem-10221911503D 45 46 0 1 0 0 0 0 0999 V2000 -1.5699 0.3763 0.0997 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 -1.5754 0.2388 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0866 -1.7407 0.2532 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 -3.0862 -0.4883 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0755 0.9893 -0.7445 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5801 3.2099 -0.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7558 2.7951 0.8964 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2936 -0.5750 2.2894 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6356 2.2226 -0.5488 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9252 -1.1960 -0.6286 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9719 -1.1218 -0.3909 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6771 -1.7822 0.0833 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9957 0.3683 -0.0491 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4532 -0.9725 -0.3459 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6936 1.0393 -0.4681 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5982 2.4206 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -0.9880 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7018 -0.4871 0.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3342 -0.8919 -1.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3568 0.2060 -0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9278 0.1097 0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -0.2949 -1.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6673 0.8443 -0.9400 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8571 0.1689 -0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 -0.0387 3.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1172 -1.2779 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6884 -1.9134 1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1801 0.5061 1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3631 -0.9970 -1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5727 1.1050 -1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9759 -1.6380 1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5596 -2.9912 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9214 0.8817 -1.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7382 -1.2927 -2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 0.5263 1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -0.2315 -2.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8457 0.8206 -2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5357 4.1218 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7857 0.2298 0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7899 0.6665 -0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 2.6034 -0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1227 -0.5725 3.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 1.0429 3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -0.1977 4.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6945 -1.5828 -0.1772 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 14 1 0 0 0 0 2 17 1 0 0 0 0 3 11 1 0 0 0 0 3 31 1 0 0 0 0 4 12 1 0 0 0 0 4 32 1 0 0 0 0 5 13 1 0 0 0 0 5 33 1 0 0 0 0 6 16 1 0 0 0 0 6 38 1 0 0 0 0 7 16 2 0 0 0 0 8 18 1 0 0 0 0 8 25 1 0 0 0 0 9 23 1 0 0 0 0 9 41 1 0 0 0 0 10 24 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END > 22833525 > 0.8 > 1 88 133 97 90 148 120 163 87 77 121 147 96 105 56 32 60 106 182 125 81 117 158 135 114 82 41 100 102 17 169 174 111 45 159 149 50 165 132 107 80 180 33 124 162 28 85 29 146 183 112 151 134 166 95 130 184 177 136 69 139 98 74 142 179 70 171 123 164 137 181 155 44 110 42 63 113 178 48 65 34 73 40 26 118 157 14 93 52 145 168 37 72 47 160 43 94 122 104 67 150 62 167 131 49 91 59 68 99 92 36 21 115 109 16 76 129 12 61 38 173 9 84 119 54 144 20 25 140 141 39 108 161 51 23 35 24 31 153 86 71 15 55 170 138 89 152 18 143 30 103 53 5 79 10 154 83 27 19 64 66 13 176 172 4 6 78 101 116 127 128 156 46 126 11 175 75 22 7 8 3 58 57 2 > 34 1 -0.56 10 -0.68 11 0.28 12 0.28 13 0.28 14 0.56 15 0.34 16 0.66 17 0.08 18 0.08 19 -0.15 2 -0.36 20 -0.14 21 -0.15 22 -0.15 23 0.42 24 0.28 25 0.28 3 -0.68 31 0.4 32 0.4 33 0.4 34 0.15 35 0.15 36 0.15 38 0.5 4 -0.68 41 0.4 45 0.4 5 -0.68 6 -0.65 7 -0.57 8 -0.36 9 -0.68 > 7.2 > 18 1 1 acceptor 1 10 acceptor 1 10 donor 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 1 9 donor 3 6 7 16 anion 6 1 11 12 13 14 15 rings 6 17 18 19 20 21 22 rings > 25 > 5 > 1 > 0 > 0 > 0 > 1 > 1 > 015C697500000001 > 81.9929 > 91.495 > 10498660 4 18411136926905542485 10670039 82 18409443674339660436 10759866 29 18188484675329403979 11595378 159 18114166558288436113 11640471 11 17821734901046605037 12107183 9 17830165810585984418 12166972 35 17749394814088041516 12236239 1 17821445772533352318 12553582 1 18266729359332249699 12596602 18 17749390411646075734 12788726 201 18261106392390150667 12916748 109 18408891762921746646 13583140 156 16950570956703921413 13631057 29 16879077536658805707 13726171 33 18412834576875053201 13782708 43 17560802194472842135 13911987 19 16558197128560590948 13965767 371 17534065164108891885 14251764 38 18263654007961017756 14739800 52 18264189478908605072 14790565 3 18053674581889563193 15183329 4 18337115571320995070 16988056 13 15596092116989786957 17357779 13 16272210769435661480 17844677 252 18410020952915787654 20510252 161 18341337717171957147 20511986 3 17676754410379087189 20603629 256 16298932170212947202 22182313 1 17489008453555740344 23402539 116 18411135865774366182 23557571 272 18343026617944133399 23559900 14 18271239426483847599 4340502 62 16443356355953958009 474 4 17022908986093329276 59755656 520 17167865278952960722 633830 44 17313108596440170174 6823239 73 18201709691303869240 7495541 125 17560520715601511918 7808743 9 18339081471761691737 9981440 41 18335144163387611483 > 455.8 11.59 2.59 1.67 5.58 1.25 1.69 1.46 -3 -3.5 -0.22 1.9 -0.1 -0.12 > 957.298 > 254.5 > 2 5 10 $$$$