11839276 -OEChem-04232418473D 52 55 0 0 0 0 0 0 0999 V2000 1.8369 2.3060 -1.1213 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2024 1.2752 2.1744 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4916 3.0747 -2.0682 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0133 0.1432 -0.5438 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0624 -2.3085 2.1722 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4963 -4.1090 0.9055 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 0.1215 -0.1028 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 2.2140 0.1139 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9406 1.2435 0.2267 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 1.2015 0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9275 -1.0357 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8328 1.6724 0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9026 1.2238 1.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8316 2.3544 0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9474 0.3326 -0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2402 2.1159 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 1.6818 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3383 1.5659 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 2.6013 -1.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9473 -1.4757 0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2023 -1.7222 -1.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5807 1.1060 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2248 -2.6296 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9682 0.3040 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4799 -2.8760 -1.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4911 -3.3298 -1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2745 0.6216 0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2871 -0.3041 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6457 -0.9131 -0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9792 -1.5345 -0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6584 -1.8389 -0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 -3.1034 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6997 0.0213 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7978 0.9269 2.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9796 2.5042 1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2304 3.2152 -0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5166 -0.3969 -1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2073 3.0745 1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3106 2.0161 -0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8249 -1.0524 1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9455 -1.3873 -2.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2483 2.1156 0.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -3.4180 -2.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9385 -4.2300 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5134 1.5817 0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6506 -1.2226 -0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7593 -2.2635 -0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4199 -2.7972 -1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7472 0.6667 1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1863 0.5334 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2684 -0.8850 0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3646 -2.6360 2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 19 1 0 0 0 0 2 17 2 0 0 0 0 3 19 2 0 0 0 0 4 22 2 0 0 0 0 5 32 1 0 0 0 0 5 52 1 0 0 0 0 6 32 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 9 22 1 0 0 0 0 9 24 1 0 0 0 0 9 42 1 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 20 1 0 0 0 0 11 21 2 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 34 1 0 0 0 0 14 22 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 18 2 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 18 39 1 0 0 0 0 20 23 2 0 0 0 0 20 40 1 0 0 0 0 21 25 1 0 0 0 0 21 41 1 0 0 0 0 23 26 1 0 0 0 0 23 32 1 0 0 0 0 24 27 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 29 31 1 0 0 0 0 29 46 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 33 49 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 M END > 11839276 > 1 > 1 77 48 96 18 143 112 118 162 115 31 133 117 75 22 35 67 148 104 110 136 76 71 134 138 47 153 103 140 131 6 83 49 123 154 92 161 84 85 74 65 64 127 52 156 61 70 68 109 38 2 54 19 137 82 87 124 25 157 114 128 102 79 93 122 33 50 160 120 5 81 60 55 105 95 139 20 129 62 116 144 145 159 86 88 132 36 108 44 135 17 99 39 12 94 158 29 51 24 78 121 126 66 56 155 63 8 111 69 26 45 23 150 32 141 11 101 146 10 90 59 9 80 97 40 152 113 34 46 151 57 3 125 42 100 147 91 149 119 21 72 27 130 37 89 98 53 30 73 4 15 43 7 107 106 16 14 58 41 13 28 142 > 47 1 -0.24 10 -0.2 11 -0.02 12 0.12 13 -0.11 14 0.36 15 -0.3 16 -0.15 17 0.62 18 -0.15 19 0.77 2 -0.57 20 -0.15 21 -0.15 22 0.57 23 0.09 24 0.12 25 -0.15 26 -0.15 27 -0.15 28 -0.14 29 -0.15 3 -0.57 30 -0.15 31 -0.15 32 0.63 33 0.14 34 0.15 37 0.15 38 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.37 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 5 -0.65 52 0.5 6 -0.57 7 0.33 8 -0.42 9 -0.55 > 7.4 > 11 1 2 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 cation 1 9 donor 3 5 6 32 anion 5 1 8 12 17 19 rings 5 7 10 15 16 18 rings 6 11 20 21 23 25 26 rings 6 24 27 28 29 30 31 rings > 33 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 00B4A72C00000001 > 101.9261 > 55.88 > 10316853 100 18336829788006523212 10864689 126 18262243218583783927 117089 54 16842218354904988510 11828532 37 13262695754774437037 12596602 18 17632582651677322873 13150687 139 18116735074446617668 13165054 189 17972884932095166865 13402501 40 18336547213254720250 1361 2 18335422386920610728 13617811 41 18186526509766916877 13692114 37 18200584917453625402 14394314 77 18343305869072504625 14556957 393 14996276990951399221 15001296 14 18337386141164770299 15721738 202 17917715673429736171 16114785 44 15111655698704992000 20028762 73 18340767147487695012 21133410 62 18189875639787199591 21197605 99 18342175613588632910 21344244 181 17704084993123835638 22956985 138 17828185620562916570 23516275 137 17416993722922908407 23559900 14 18335979861713804707 25269216 80 17023478473546306885 338550 245 18264768951273841247 3737641 26 18341889649980376573 4073 2 18339644559454201435 437795 51 18410580595671116027 46194498 28 17749389299693197693 463206 1 18268987760278307055 57359948 33 16443891766651170895 59755656 215 18410572915752268698 70251023 43 18126291835408247954 86090 222 18409730672744638194 > 638.68 18.03 4.25 1.48 35.66 2.82 0.01 1.59 -1.35 -3.86 -0.4 -1.02 0.23 0.55 > 1395.749 > 348.3 > 2 5 10 $$$$