5499077 -OEChem-05062421233D 44 47 0 0 0 0 0 0 0999 V2000 6.4849 -2.7359 0.3668 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.1682 -3.3023 -1.3961 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5643 1.3217 -0.1093 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 0.4089 0.7044 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5952 -3.5118 1.0547 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 -4.1370 -0.7503 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3775 1.4610 -0.3146 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6429 2.6804 -0.9336 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4558 2.6196 -0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 3.3675 -0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0515 1.3291 0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3327 0.4693 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8055 2.9928 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8038 2.1889 0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3882 0.7387 0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9558 -0.8783 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3807 4.7386 -1.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6838 0.8063 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1076 2.1866 1.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2997 -0.2356 0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1466 1.2367 2.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9178 -1.8760 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6457 -0.1913 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2627 -1.5325 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1934 -0.8976 1.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3002 -0.5294 -1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0789 -1.8446 0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1857 -1.4762 -1.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4707 -3.2637 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0753 -2.1339 -0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 3.9719 -0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9235 -1.1796 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6285 4.7300 -2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3314 5.0815 -1.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0709 5.4298 -0.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0063 1.8446 -0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6524 2.7826 2.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6466 0.9610 2.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6894 0.0932 0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2212 -0.6948 2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6227 -0.0390 -1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7665 -2.3494 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1719 -1.6918 -2.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2991 -4.4470 1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 30 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 11 2 0 0 0 0 5 29 1 0 0 0 0 5 44 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 17 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 19 2 0 0 0 0 15 20 1 0 0 0 0 15 21 2 0 0 0 0 16 22 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 23 2 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 29 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 26 28 2 0 0 0 0 26 41 1 0 0 0 0 27 30 2 0 0 0 0 27 42 1 0 0 0 0 28 30 1 0 0 0 0 28 43 1 0 0 0 0 M END > 5499077 > 0.8 > 1 31 9 18 25 10 17 23 26 16 20 11 24 7 30 2 28 4 21 29 3 6 19 12 15 27 5 22 8 14 13 > 41 1 -0.18 10 0.37 11 0.62 12 0.12 13 -0.11 14 0.09 15 0.09 16 -0.15 17 0.06 18 -0.15 19 -0.15 2 -0.18 20 0.05 21 -0.15 22 0.09 23 -0.15 24 0.18 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 0.63 3 -0.28 30 0.18 31 0.15 32 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 43 0.15 44 0.5 5 -0.65 6 -0.57 7 -0.11 8 -0.51 9 0.03 > 4.2 > 10 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 8 acceptor 3 5 6 29 anion 5 3 14 15 19 21 rings 5 7 8 9 10 11 rings 6 12 16 18 22 23 24 rings 6 20 25 26 27 28 30 rings > 30 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 0053E8C500000001 > 98.926 > 50.807 > 10074138 170 16843907265153250841 10622 236 18342172267940770111 10928967 22 17833290626711072850 11069576 57 18338520862486040045 11135926 11 17900842731067273861 11497681 19 18341900650356810396 11552529 35 18055072060714513328 11607047 403 17984685978022862168 11963148 33 18119528731344905234 12107183 9 18268724827129523185 12596602 18 17704354347227953168 13540713 5 18268168559512594601 1361 2 18336549425553105440 13692114 37 18053095418513337520 13911987 19 17394469317085675589 14394314 77 18201723959739049529 14429380 30 18335424526115517714 1454969 45 18408327709721198356 14950920 106 17274536529751159864 15320294 125 17917715725665371047 15361156 5 17898593998355700940 15803439 3 16524104257263433741 19301676 85 17760078524416353367 19315092 285 17845936324368587401 19319366 153 17838054063233084805 20028762 73 18343022211656263118 20775438 99 17975964685634018771 21133410 171 17246069031273878875 21197605 99 18342455955031977038 21458453 9 12822438169350481631 21585483 132 17628615751881511023 23559900 14 18261392308009799281 23569914 152 18049125954098563463 314194 84 18410864286381245233 4015057 19 18114191885980087081 437795 70 17241030043130793141 439807 62 18340767169817411679 463206 1 18199749326838821235 50009960 94 17679002813528302482 5028188 123 18058465235919432188 5081480 168 15936708011861085149 5223283 242 17677316244268662045 5309563 4 18335984173402196308 56633871 153 18124047732196510857 57035037 87 13840263754422032124 6058803 2 18196960888100256673 613672 6 18186806863572072784 6431902 208 18410012109066954739 66674814 147 18333454222695344874 6677587 24 17033560135984941013 6691757 9 17702111257909384929 70251023 43 18335137635427938657 7288768 16 11671772776293353373 7970288 3 18270677696971285119 96874 4 18272365417123301031 > 587.69 16.72 5.57 1.4 11.49 0.56 -0.2 -21.18 2.07 -3.87 1.72 1.93 0.46 -3.35 > 1287.685 > 321.1 > 2 5 10 $$$$