60301195 -OEChem-04252413183D 43 45 0 0 0 0 0 0 0999 V2000 -3.8933 -0.5206 -1.2083 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 1.7479 0.7415 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 0.2401 -0.1228 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7703 -0.0111 -0.1786 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4980 -1.7512 0.0597 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4557 -0.6025 0.9774 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1737 -0.2047 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 -0.4008 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5271 0.5019 -0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4143 0.4099 0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9371 0.6169 0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5747 -0.2753 -0.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8717 0.2377 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0938 -1.5918 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 1.7924 0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 1.5282 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8714 1.6828 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0061 -0.5446 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0731 2.3056 0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 -2.3130 0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0735 -0.5477 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0414 -0.7026 0.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2952 -0.4202 -1.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2493 -0.7234 1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4471 -0.4536 -0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4521 1.4915 0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8524 -0.9432 -0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3892 -1.2824 -1.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1639 -2.1323 0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0204 2.4557 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1166 1.9625 -0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9087 2.0229 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4881 2.1439 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3368 2.0790 -1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8981 0.0823 -0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9836 -1.2204 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1328 -1.1404 0.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2675 3.3123 0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2680 -3.3970 0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1154 -0.8266 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3496 -0.2979 -2.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2792 -0.8469 2.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4251 -0.3581 -0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 11 2 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 27 1 0 0 0 0 5 8 2 0 0 0 0 5 20 1 0 0 0 0 6 24 2 0 0 0 0 6 25 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 26 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 16 2 0 0 0 0 14 20 2 0 0 0 0 14 29 1 0 0 0 0 15 19 2 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END > 60301195 > 0.8 > 10 3 91 85 80 57 79 1 54 83 69 63 76 4 48 41 34 61 40 95 32 75 11 2 67 92 27 59 60 18 97 88 51 64 36 73 77 46 8 28 96 70 87 26 15 12 90 42 71 62 7 66 13 65 17 47 53 6 38 35 19 50 20 9 78 72 43 94 84 39 16 89 86 30 25 49 68 29 14 24 21 93 58 22 5 74 55 52 81 45 44 33 56 31 23 37 82 > 37 1 -0.17 10 -0.15 11 0.54 12 -0.15 13 0.08 14 -0.15 15 -0.15 16 -0.15 17 0.37 18 0.37 19 -0.15 2 -0.57 20 0.16 21 0.08 22 -0.15 23 -0.15 24 0.16 25 0.16 26 0.15 27 0.37 28 0.15 29 0.15 3 -0.84 30 0.15 31 0.15 38 0.15 39 0.15 4 -0.55 40 0.15 41 0.15 42 0.15 43 0.15 5 -0.62 6 -0.62 7 0.09 8 0.41 9 0.12 > 6 > 8 1 1 acceptor 1 2 acceptor 1 4 donor 1 6 acceptor 3 3 5 8 cation 6 5 7 8 10 14 20 rings 6 6 21 22 23 24 25 rings 6 9 12 13 15 16 19 rings > 25 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 03981F8B0000000A > 101.5764 > 40.597 > 10299344 5 17989207053191203014 10391435 84 18114743836342434635 10554248 39 8502652615078026826 10595046 47 18410855413680398856 10670039 82 8502384317088133327 11315181 36 12035737500312140085 11524674 6 15554443024508229773 12760667 363 18412261727791049313 13073987 5 18338795611733595936 13533116 47 18341609300543904458 13673619 4 18342455937203118640 13685833 64 18407760334932928130 14123256 10 18335420171403242630 14170010 4 18335136531810942316 14251764 18 17703790336159009823 14341114 176 18411700984580555686 14617045 38 18342738520402555118 14840074 17 18130782356970686687 15131766 46 13396905494051066474 15142383 8 11672064138896325418 15183329 4 18201997733353997075 15461852 350 14707216521816900690 15510794 2 17822008714466713731 15537594 2 18273208707712386798 15716309 27 18272089391974239919 17492 89 18052256198740793646 18006028 8 18342737425481066173 18335252 98 18333454239621681058 18608769 82 18334858367600006314 20157964 124 8358263652633127256 20281389 69 11167939160481563475 21049683 271 18410294748518372836 21150785 3 16226049993935641966 21267235 1 18343022177486025844 21403212 168 9943530691703529100 21521721 280 18271806878375112296 21623969 137 18409735049501422427 21859007 373 12103302472574632593 220451 1 17774999098625397542 23522609 53 17987541327472583521 23559900 14 18261106443423621897 3004659 81 17894908551005642717 335352 9 18342730833170224805 4093350 32 15482669126684017344 4325135 7 18409448090193729854 46194498 28 17530962501636223276 5104073 3 18271237201949063368 57724786 102 13973097918267143818 6691757 9 16415483779757201095 9862886 166 17603590750524529555 999808 66 18333739017971697923 > 482.83 23.11 1.86 0.97 3.27 0.34 0.08 -6.53 0.54 1.65 0.23 -1.7 -0.13 0.21 > 1045.656 > 261.6 > 2 5 10 $$$$