134347604 -OEChem-09272321133D 58 61 0 0 0 0 0 0 0999 V2000 -2.6905 1.0704 1.5508 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1101 4.1001 -0.3147 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0315 5.1842 0.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 0.2477 0.5836 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6051 -0.8732 -1.1346 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 1.7577 -0.6073 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7171 -0.0814 -0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6378 0.5624 -1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0774 -0.9784 0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4761 1.2098 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0537 -0.2708 1.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5834 0.9709 0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1688 0.8639 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4366 0.8970 0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2738 -1.9948 -0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -0.2472 0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8052 2.1199 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1362 2.8256 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0551 -3.2309 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1673 -1.8905 0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4099 -0.1495 -0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9674 2.2158 -0.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8723 -1.4861 0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7655 1.0894 -1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7301 -4.3627 -0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8421 -3.0220 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2012 -1.2937 -0.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4437 4.1540 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6236 -4.2582 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6705 -2.6126 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8326 -2.5166 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -0.2102 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0416 1.3082 -1.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 -1.8784 0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7959 -1.3279 1.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 1.5708 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0823 2.0879 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3372 0.5313 2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 -1.0085 2.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3803 -0.8918 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3824 0.3256 2.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 1.8726 1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 1.5580 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 3.0090 0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6361 2.5749 0.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8688 2.9097 -1.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3601 -3.3260 -2.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3759 -0.9403 0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2538 3.1681 -1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9779 -1.6228 1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6696 1.1877 -1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5597 -5.3252 -1.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5415 -2.9402 1.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1139 -1.2420 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1499 -5.1391 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3844 -3.5653 1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4534 -3.3940 -0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6826 4.9757 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 28 1 0 0 0 0 2 58 1 0 0 0 0 3 28 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 40 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 23 2 0 0 0 0 17 22 1 0 0 0 0 17 44 1 0 0 0 0 18 28 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 25 1 0 0 0 0 19 47 1 0 0 0 0 20 26 2 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 27 2 0 0 0 0 22 24 2 0 0 0 0 22 49 1 0 0 0 0 23 30 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 29 2 0 0 0 0 25 52 1 0 0 0 0 26 29 1 0 0 0 0 26 53 1 0 0 0 0 27 31 1 0 0 0 0 27 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 M END > 134347604 > 1 > 1 60 16 144 109 137 221 153 86 14 213 204 202 119 69 91 133 176 175 161 51 191 40 237 84 65 77 130 192 170 105 106 178 72 228 75 182 232 223 156 96 47 107 177 21 15 159 211 240 165 206 124 97 155 35 79 93 54 92 100 227 64 179 209 8 238 226 181 188 104 184 95 74 17 127 112 57 218 147 160 108 173 120 215 193 146 46 203 241 71 163 207 148 85 157 102 200 118 132 190 197 235 216 180 26 44 39 231 128 201 194 70 145 88 49 141 239 111 55 171 125 110 42 234 233 33 220 122 219 230 196 225 167 162 189 185 168 236 24 28 186 36 43 32 199 139 90 114 187 138 205 61 195 30 99 76 78 242 117 224 126 183 151 208 56 123 135 37 31 142 217 89 29 116 229 101 212 52 25 9 73 198 6 80 81 166 45 214 164 58 131 27 158 103 83 129 222 34 113 48 66 59 172 87 210 67 149 140 22 154 152 174 143 50 134 82 136 5 68 13 121 4 98 18 169 20 23 150 62 53 2 3 41 94 10 115 7 11 12 38 19 63 > 42 1 -0.57 10 0.27 11 0.27 12 0.57 13 0.41 14 -0.14 15 0.1 17 -0.15 18 0.36 19 -0.15 2 -0.65 20 -0.15 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 0.66 29 -0.15 3 -0.57 30 -0.15 31 -0.15 4 -0.81 40 0.4 43 0.37 44 0.15 47 0.15 48 0.15 49 0.15 5 -0.87 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 0.5 6 -0.73 7 0.43 > 9.2 > 12 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 1 5 cation 1 5 donor 1 6 donor 3 2 3 28 anion 6 14 16 17 21 22 24 rings 6 15 19 20 25 26 29 rings 6 16 21 23 27 30 31 rings 6 4 7 8 9 10 11 rings > 31 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 0801FB5400000001 > 100.0062 > 60.985 > 10462674 125 14972873026418123446 10595046 47 18335422417639522516 10928967 22 17631443635093930310 117089 54 17758969507525902179 11763715 3 18191884524307449925 11991303 11 18189605074047707469 12107183 9 18048029671579155632 12633046 712 18341321237119049652 12788726 201 18189324835446772947 13583140 156 17774142600610800648 1361 2 17900825156725003196 13617811 41 18121770896591091590 13690498 29 18270971240531420998 13782708 43 17417805210175627799 14117953 113 17693652615993281718 14347332 77 18338795718717700026 14394314 77 18195252341804133955 14790565 3 17905324022792264265 14955137 171 18047478009169663859 15064981 194 18334023774229894765 15230672 131 18050007693183225686 15250474 111 18334846196068929690 15361156 5 18189353371341388362 16992779 147 7920913197798146903 17492 89 18410571829558143870 17844677 252 18408891737157185108 1813 80 17982461691711132487 18393751 57 17119989476184137016 19301679 30 18337679723522906947 20101258 96 18266743661488702841 21033648 29 13757812398802835794 21120745 212 18337111276026690349 21703447 108 18126271176615236336 22393880 68 18413110559315559046 22950370 63 18197218259408537907 23522609 53 17910428230530321881 23559900 14 18270105937380134601 3610482 184 17968679145789796740 4058900 60 17765999398790230993 44062 13 18341892953042523934 497634 4 18259982690942028775 5104073 3 18131068247337015762 513202 73 18410301323996934115 57527295 17 18187653484058557410 5912855 24 18409169934615016873 59755656 520 18266170626899674021 633830 44 17603869966670221752 6700243 42 17913526598468082332 70251023 43 18121780801197178537 7399639 24 17912065450889504848 7970288 3 17979070814710154911 > 605.41 14.73 5.93 1.19 14.81 2.94 0.1 -6.98 -1.85 -11.08 -0.63 -0.07 -0.26 -0.96 > 1314.114 > 326.9 > 2 5 10 $$$$