68300183 -OEChem-05122401563D 50 52 0 1 0 0 0 0 0999 V2000 5.9317 3.4308 -0.0383 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.0265 -0.3922 0.6616 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2212 -1.9239 1.5185 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2649 -1.3876 -0.1909 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4789 -3.1622 -0.9222 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2747 1.8527 0.1126 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3364 -1.8378 -0.0197 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4855 -1.4404 0.5860 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7018 -1.8791 -0.2527 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3181 0.5656 -0.6631 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0995 -0.8155 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7585 -0.0853 1.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 0.9926 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6131 0.6242 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0712 -1.5388 -0.6773 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9843 -1.6354 0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1782 -0.1068 -1.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4294 0.3953 -0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0438 -0.6467 0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7487 3.0320 -0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5387 2.0486 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9879 1.6602 -0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 -0.4484 0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1980 1.8730 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8286 0.8253 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3278 -2.1774 1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 -2.0575 0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3741 1.2499 -1.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0123 -1.1332 -1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3211 -0.7345 -2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8734 0.2537 1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 -0.2011 1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3937 1.9061 0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2897 1.2291 -0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3336 -1.1300 -1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3348 -3.4609 -1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2608 -3.8770 -0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 -2.2683 -1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3273 0.5377 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3187 -0.1417 -2.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4977 -2.6394 0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0539 2.9835 -1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6635 3.1089 -0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1690 3.9373 -0.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3952 2.7910 1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8879 1.1148 1.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2861 2.4054 0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4954 2.4555 -1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7530 -1.2568 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7765 0.9917 1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 14 2 0 0 0 0 3 16 2 0 0 0 0 4 8 1 0 0 0 0 4 16 1 0 0 0 0 4 35 1 0 0 0 0 5 9 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 24 2 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 50 1 0 0 0 0 M END > 68300183 > 0.8 > 1 50 86 125 63 88 167 58 174 154 37 130 171 12 110 65 27 73 84 57 168 158 70 118 53 32 102 92 89 163 108 78 169 156 87 90 66 13 59 103 111 155 20 123 124 49 150 100 177 94 116 136 31 11 15 35 120 41 127 126 45 187 17 139 93 109 19 137 178 115 138 30 159 96 112 95 38 121 166 128 133 153 145 18 76 34 132 182 14 180 36 181 39 25 141 161 183 185 83 77 64 29 80 44 42 106 67 143 107 10 170 28 51 98 117 119 52 72 5 114 165 99 113 75 68 82 7 164 40 9 61 176 91 79 43 33 55 46 48 149 152 2 21 85 23 24 104 151 81 134 173 129 140 60 22 8 4 131 122 71 69 62 3 135 179 147 157 6 184 74 54 16 160 105 56 186 101 142 144 148 146 172 175 162 47 97 26 > 29 1 -0.18 10 0.06 14 0.57 15 0.43 16 0.57 17 0.14 18 -0.14 19 0.1 2 -0.57 20 0.3 21 0.3 22 -0.15 23 -0.15 24 0.18 25 -0.15 3 -0.57 35 0.37 36 0.36 37 0.36 4 -0.73 41 0.4 48 0.15 49 0.15 5 -0.99 50 0.15 6 -0.66 7 -0.87 8 0.3 9 0.27 > 6.8 > 10 1 2 acceptor 1 3 acceptor 1 4 donor 1 5 cation 1 5 donor 1 7 cation 1 7 donor 5 7 15 17 18 19 rings 6 18 19 22 23 24 25 rings 6 8 9 10 11 12 13 rings > 25 > 3 > 1 > 0 > 0 > 0 > 1 > 2 > 04122D9700000001 > 67.8807 > 50.837 > 10498660 4 18131638910866849912 10595046 47 18339918332943244230 11069576 57 15266227908449206348 12107183 9 18263914459299226186 12633257 1 15285655286637365977 12788726 201 17203051764249799953 12895836 83 18273492365017487763 12895837 130 18340771566798331932 13103583 49 11603089527384715238 13167372 99 18410008828154584560 13782708 43 12540693725711458840 14216079 64 8646765591388714505 14251764 38 18192712460937260036 14251764 75 18412833468899441241 14790565 3 18198629822360069161 15840311 113 18195537996010941933 17959699 21 18411981338607660409 17980427 23 18188208831244534582 1813 80 12031790262554400650 18222031 100 11455885849896178062 20511986 3 18340755001404649232 20715895 44 18339922602198485648 21033648 29 17968104161575206624 21150785 3 17988914558357163157 21315764 268 18189612748336970812 21682296 61 9079115562136787257 2215653 11 10663817438970466457 22849339 104 15195272171239235133 22950370 63 9367077674709870154 23227448 37 18412263952167488047 23559900 14 17917147183174705278 268830 7 18187631523347635406 2838139 119 18409724037004425940 2916195 48 18408041814368149537 3472631 163 18341894073838844045 34797466 226 17774733051012659780 3680242 22 18334012753227411200 4340502 62 17313396578318572043 437795 70 14404905726982686803 465052 167 10953458522953120320 474 4 18259985998367721290 5104073 3 18040711506868545426 59682541 52 16988296274526440724 636775 72 17620190271798491208 7808743 9 18412539925169870387 7970288 3 9295285036645718004 960060 61 13326851132514435290 9981440 41 18335139842745658818 > 484.7 15.82 3.3 1.1 0.71 1.26 0.02 14.13 1.8 -0.3 -0.27 -0.19 -0.22 -0.7 > 1016.519 > 275.1 > 2 5 10 $$$$