5904427 -OEChem-05032422573D 40 41 0 0 0 0 0 0 0999 V2000 -7.6365 -1.6692 -0.2243 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1003 1.0041 0.2322 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8796 -1.0108 0.8202 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -0.3446 -1.5061 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8812 -0.1555 -0.0971 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2822 0.2497 0.2365 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2405 2.3450 -0.3685 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2138 0.9759 0.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 0.4283 1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 0.9666 -0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1158 -0.6345 1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3366 0.9949 -0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9401 0.1839 0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0715 -0.7397 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -1.9241 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3042 0.9995 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6439 0.3295 -0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6993 -1.0006 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7566 1.0750 0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9461 -1.6250 -0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0035 0.4508 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0983 -0.8994 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9699 2.0055 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6325 0.0276 2.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7836 1.2603 2.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4373 1.8310 -1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4853 0.0766 -1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8045 -0.9559 1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5563 -1.5180 0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7288 1.0149 -1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6979 1.8990 -0.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4029 -2.3905 -0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7764 -2.6730 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9148 -1.5946 1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8162 -1.5805 -0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 2.1202 0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0443 2.8832 -0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 2.8327 -0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0053 -2.6771 -0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8924 1.0274 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 16 2 0 0 0 0 7 16 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 14 15 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 M END > 5904427 > 0.8 > 1 156 62 21 83 183 176 118 138 142 157 54 147 9 103 4 109 67 175 128 68 25 185 8 26 40 105 162 95 191 110 139 129 46 63 188 89 115 7 182 20 24 180 31 132 73 88 99 144 3 164 143 141 45 16 135 108 84 123 81 97 78 53 168 145 2 66 65 47 177 14 102 13 10 174 137 75 69 23 172 59 122 49 189 116 82 57 187 35 18 15 178 90 96 131 55 98 120 5 100 22 166 133 28 167 136 12 158 152 11 34 161 94 181 38 111 101 71 72 104 190 113 60 112 39 165 44 27 146 130 36 58 33 42 184 126 52 119 61 70 48 186 155 173 86 170 37 91 159 64 19 149 134 50 77 41 179 79 160 163 154 6 43 169 148 124 150 92 32 17 114 125 140 51 56 171 85 76 106 30 80 107 29 127 93 153 121 87 117 151 74 > 26 1 -0.18 11 0.3 12 0.3 13 0.66 14 0.57 15 0.06 16 0.41 17 0.09 18 -0.15 19 -0.15 2 -0.09 20 -0.15 21 -0.15 22 0.18 3 -0.57 35 0.15 36 0.15 37 0.4 38 0.4 39 0.15 4 -0.57 40 0.15 5 -0.66 6 -0.51 7 -0.85 8 0.06 > 6.2 > 6 1 3 acceptor 1 4 acceptor 1 7 donor 3 6 7 16 cation 6 17 18 19 20 21 22 rings 6 5 8 9 10 11 12 rings > 22 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 005A182B00000001 > 52.9296 > 30.446 > 10 15 11672060860955524806 10087517 78 8790892873997666623 10299344 5 18409452483766022779 10595046 47 18334579027569980276 10693767 8 17968935259486388714 10730089 47 18411697665167116650 11089746 13 8934992655492406314 11315181 36 18131354120402493625 11524674 6 16702301265538044847 117890 112 8718829790426505804 11963148 33 18411410730976762975 11991303 11 15574727918750794138 12166972 35 18408044026197939060 12236239 1 18261112980474518773 125118 31 8935004780143508486 13288520 33 18412825794393964469 13533116 47 16805874113574664544 13668630 136 18334294266515955350 13673619 4 18131069346495390689 13685833 64 17775287178966169594 13782708 43 17632289116564242199 14123256 10 17603585239859727746 14123256 34 18412547639152563243 14341114 176 17632291315434569161 14347332 77 18261387789651306492 14556957 393 16733274456178120309 15048467 5 8718825388406780910 15142383 8 15051739650884017760 15183329 4 18260831492481063434 15348495 7 16128363934858362355 15475509 35 18059283268138626826 16079462 125 12251901516329087710 17844677 252 17918277566863576281 18222031 100 17894623768761949172 18335252 114 15213308526254640470 18681886 176 18335417993528074832 20554085 129 11602815851958247045 21150785 3 17022904570619230326 21267235 1 18409450323940720435 21521239 73 18040436573301171058 21623969 137 16558755602556528174 220451 1 18113615669077740985 221357 26 17313101947720078484 2297311 6 18342458132215957593 23035841 295 18412263934956015555 23081809 10 17095797733275198305 23522609 53 18192742010143964436 23559900 14 18336542832224703993 246663 6 18131637793764182119 29717793 49 18260552216944002004 300161 21 9439407930182572641 3004659 81 18260545640721447584 351380 3 18334572451795292713 4325135 7 18259703393798696751 4340502 62 14620796007100543924 465052 167 17704072872572904526 5104073 3 13470105437329812798 5283156 175 18335421257776773887 542803 24 17022899043297013761 559249 180 18413669102716833221 59682541 52 15719664373788428434 59755656 215 18202003200800015934 7495541 125 17917990603145293344 999808 66 18041289859128805587 > 422.07 20.64 1.74 1.03 3.42 0.1 0.07 10.76 -3.57 0.84 -0.13 -1.51 -0.02 -0.5 > 871.876 > 241.2 > 2 5 10 $$$$