60059986 -OEChem-05142408403D 45 48 0 0 0 0 0 0 0999 V2000 2.8102 0.5678 0.6202 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 0.1098 2.0495 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8485 -3.7027 0.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9611 -2.8766 0.8224 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8106 0.8375 0.8335 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4564 0.2616 0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7512 -0.1670 0.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0979 -1.3765 0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2907 -1.1088 0.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5719 1.1553 0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0223 2.2155 0.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1668 0.0492 0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3699 2.4857 0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0325 3.0452 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0498 0.2160 -0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7347 -2.6635 0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 0.9903 -0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8171 0.2996 -0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4197 0.4235 -0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4979 0.1645 -1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9401 0.8848 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9305 -0.9276 -1.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2377 0.5796 -1.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3157 0.3205 -2.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6857 0.5281 -2.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1767 0.2427 -0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -1.5699 -1.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2899 -0.9847 -0.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0943 -1.8300 0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 2.5799 0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1936 3.1914 0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0849 4.1210 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6582 2.0745 -0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8966 0.7481 -1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8765 0.4683 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4362 0.0056 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8643 1.8395 0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0622 -1.3947 -1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3044 0.7413 -1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8863 0.2807 -3.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3225 0.6496 -3.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3066 -4.5702 0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0510 0.6979 0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2549 -2.5259 -1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2525 -1.4849 -0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 12 2 0 0 0 0 3 16 1 0 0 0 0 3 42 1 0 0 0 0 4 16 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 29 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 35 1 0 0 0 0 20 24 2 0 0 0 0 20 36 1 0 0 0 0 21 26 1 0 0 0 0 21 37 1 0 0 0 0 22 27 2 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M END > 60059986 > 0.8 > 1 39 33 19 60 41 48 37 58 22 36 44 49 56 53 61 2 52 55 25 28 45 30 43 10 14 63 46 57 26 34 29 31 21 13 47 54 40 20 18 50 62 11 35 24 27 38 42 59 32 17 5 8 12 7 23 6 16 4 3 51 15 9 > 43 1 -0.36 10 0.12 11 -0.18 12 0.57 13 -0.15 14 -0.15 15 0.09 16 0.81 17 0.42 18 -0.14 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 0.15 3 -0.65 30 0.15 31 0.15 32 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.5 43 0.15 44 0.15 45 0.15 5 0.33 6 -0.2 7 -0.24 8 -0.09 9 -0.15 > 6 > 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 3 3 4 16 anion 5 5 6 7 8 9 rings 6 15 19 20 23 24 25 rings 6 18 21 22 26 27 28 rings 6 5 6 10 11 13 14 rings > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0394715200000001 > 82.5362 > 50.904 > 10 15 10952043443209311750 10165383 225 18113897140181548813 105312 117 17967809444813837591 10670039 82 17749945566408663045 10693767 8 18059844044063000159 10835480 77 18339923835640330024 11578080 2 17898285254315533020 1200032 147 17024300813528379789 12555020 224 18412829092095430506 12596602 18 14045744799161468822 12643181 29 18408322199088208098 12760667 363 18130515145722465576 12788726 201 18269832030294113872 12977781 61 16770393049519924866 13540713 4 18122056774178391025 13911987 19 18334851685068470447 14068700 675 16774075176606308896 14508225 48 18411982451400887592 14747281 78 17828476969758689325 14930077 153 16878522223072379676 14931854 50 18339063910025345909 15052358 14 18335136488138186660 15183329 4 18114179705605367636 15840311 113 12974433385463721463 15927050 60 17695356871262971992 17857418 61 17131833166424615052 18393751 57 8502366750075689445 19958102 18 18261395490886351710 21279426 13 18409449219506481850 21307412 95 18342747312200538790 21637258 2 15913315897437158965 21792961 116 17894634725191477112 21859007 373 17749655351674625772 22182313 1 18051967323113010649 22224240 67 8142083174075371861 22393880 68 18261383515852853187 23402539 116 18201444653267083672 23522609 53 17201949061878749712 23559900 14 18340768260417442632 23569943 247 17845376544101562527 23576562 1 17896036723214001349 25025965 108 17559385856857907350 2838139 119 16298380266751874525 3004659 81 18260554446417052848 3009799 131 18410851066883494452 340366 18 17968103074574071156 3729539 64 18262795155702637359 4015057 19 18131069393814027176 4058900 60 17823694171249579291 44802255 64 17313112946983941610 57527585 21 17026801167573034335 5969126 39 18131348566794118756 59755656 215 18410014295843371382 59755656 520 18342185470949949691 613672 6 18201168702192971502 66674814 147 17274524512369394911 > 547.77 16.81 2.69 1.84 20.37 0.96 1.03 2.08 10.79 -0.06 -1.33 -2.9 0.14 1.66 > 1217.045 > 291.3 > 2 5 10 $$$$