2925672 -OEChem-04252421243D 51 54 0 1 0 0 0 0 0999 V2000 -6.9229 -0.6211 0.5929 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3985 0.3752 -1.3892 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2504 -0.5454 0.4208 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 -1.6525 -1.6205 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7537 1.8339 -0.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6264 2.0874 -1.4271 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8329 -0.4050 -1.2271 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1601 -0.1904 1.1990 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6782 -0.5614 1.4514 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6900 -0.7584 -0.1144 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2243 1.3430 1.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8498 -0.6572 0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 0.5749 2.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 1.6127 2.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4562 -0.5605 -1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0722 -0.2645 -0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4603 -0.8514 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6431 -0.5886 -2.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3274 -0.9017 -0.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2628 -0.7608 -2.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7648 -1.0916 -0.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6294 -0.6913 0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 0.2827 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 -1.8226 1.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8553 0.1184 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4539 -1.9870 1.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9965 1.4751 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 -1.0165 0.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 2.9949 -0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 3.2294 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 -0.6119 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6285 -1.5186 1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7382 -1.8540 -0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0717 1.8748 0.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1801 1.6547 1.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3562 0.5620 2.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9579 2.5413 2.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2172 -0.4080 -2.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 -0.9667 1.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -0.4899 -3.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3353 -0.7850 -3.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8357 -0.3034 0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -2.5776 1.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5616 0.8656 -0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8320 -2.8703 1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4098 -1.1442 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0637 2.8365 -1.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 3.8623 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8861 3.3581 0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 2.3670 -0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3288 4.1176 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 42 1 0 0 0 0 2 16 2 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 21 2 0 0 0 0 5 27 1 0 0 0 0 5 29 1 0 0 0 0 6 27 2 0 0 0 0 7 10 1 0 0 0 0 7 15 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 11 1 0 0 0 0 8 31 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 32 1 0 0 0 0 10 16 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 18 1 0 0 0 0 17 19 2 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 41 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 28 1 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M END > 2925672 > 1 > 1 19 40 17 18 108 67 43 24 39 99 22 59 30 88 80 91 46 47 51 33 79 37 81 71 103 96 75 44 98 9 57 15 32 78 23 13 28 56 64 95 55 85 38 35 7 63 60 83 52 84 45 61 26 41 100 93 36 101 14 107 4 92 77 48 42 10 82 106 76 90 25 65 86 105 54 31 29 3 87 66 49 53 34 104 58 20 72 2 73 74 69 27 68 97 94 21 109 89 102 70 50 8 11 16 6 62 12 5 > 39 1 -0.65 10 0.43 11 0.14 12 -0.14 13 -0.29 14 -0.29 15 0.1 16 0.66 17 -0.15 18 -0.15 19 0.09 2 -0.57 20 -0.15 21 0.63 22 0.08 23 0.09 24 -0.15 25 -0.15 26 -0.15 27 0.63 28 -0.15 29 0.28 3 -0.23 36 0.15 37 0.15 38 0.4 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.5 43 0.15 44 0.15 45 0.15 46 0.15 5 -0.43 6 -0.57 7 -0.87 9 0.28 > 7.6 > 11 1 1 acceptor 1 2 acceptor 1 4 acceptor 1 6 acceptor 1 7 cation 1 7 donor 3 1 2 16 anion 5 8 9 11 13 14 rings 6 12 15 17 18 19 20 rings 6 22 23 24 25 26 28 rings 6 7 8 9 10 12 15 rings > 30 > 0 > 3 > 0 > 0 > 0 > 1 > 2 > 002CA46800000001 > 96.1409 > 56.107 > 10670039 82 17489323970359141068 10688039 33 17967809423534316620 11045977 3 17675924321754071515 11370993 144 17676492717873671936 11552529 35 18120098539769956050 11828532 37 16342847901840814703 12107698 1 18408881819845973521 12128747 34 17241876606152453215 12166972 35 18272082820600814257 12236239 1 18130784577405227746 12403259 118 18202006482381578137 12422481 6 17986675866398263704 12596602 18 18334858350631049395 12633257 1 18333735719368242690 13402501 40 16515682217269343906 13583140 156 18041849526930510491 13782708 43 17022894649550933722 13914758 101 18188487974370669737 14294032 229 17345493508930210569 14705955 166 17023448781609683013 15001296 14 17987796465661972328 15131766 46 18045499978697299644 15361156 5 16008759029940091838 15880784 105 17894914061438342235 17349148 13 18202566193676190571 173720 79 17846776299765243631 17980427 23 18130515154254650881 20511986 3 18273205400856659304 21033648 29 17313092090469375292 21033650 10 16988024750851577138 21792961 116 17168704121517611426 22122407 14 18409176514821900057 23557571 272 15698004045575065666 23559900 14 14996576108757475519 3383291 50 14923954470472528545 4409770 3 16038059567321430942 474 4 18342463663674827542 513202 73 17977382738502770634 6823239 73 15140965075850749852 7064713 232 17631741456531052920 7226269 152 15213294206453640055 77296 10 18042407001254368283 > 577.19 15.22 2.33 2.03 2.55 2.19 -0.07 -2.43 -3.23 -2.61 0.2 1.12 -0.06 -2.45 > 1269.689 > 308.2 > 2 5 10 $$$$