69923857 -OEChem-03282421233D 68 71 0 0 0 0 0 0 0999 V2000 -5.3607 2.7032 0.0495 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4637 0.8014 0.4648 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4237 -1.0489 1.5893 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5222 1.7367 -0.2103 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3274 0.7406 -0.6202 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 0.9747 -1.3346 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0252 0.4333 0.9805 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5773 -0.8815 2.1759 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1691 1.6997 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6505 1.8816 0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3188 2.9469 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 0.4490 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2263 3.1246 0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1841 0.6137 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2294 1.5250 -1.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7012 1.0168 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9919 -0.3949 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5565 0.2684 -1.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2867 -1.1483 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 0.1821 -2.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2892 -0.7160 -0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8528 -1.4724 -1.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7831 -0.2500 -2.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1799 -0.2625 0.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4598 1.3412 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3378 -1.5578 0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2013 -1.2579 -2.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2984 -2.9416 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1619 -2.6417 -2.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3993 -0.1633 3.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1571 -2.2328 2.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2104 -3.4836 -1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4681 -1.9857 2.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6655 1.8463 0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2627 2.0464 1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 3.8391 -0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8683 2.8850 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8314 0.2302 -0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8703 -0.4296 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7044 3.3505 1.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 3.9954 0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4431 -0.2850 1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 0.6609 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7939 1.0730 -1.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6018 2.5042 -1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2541 2.1447 -1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0174 -0.5354 0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1728 -2.0929 0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8233 -0.5408 -3.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 1.1526 -3.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2839 -2.2954 -1.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8894 -1.8143 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2384 -0.4751 -3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3597 0.5712 -1.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1738 -0.6172 -2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3318 -3.6579 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0959 -3.0638 -3.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4104 -0.6585 4.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0192 0.8525 3.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4328 -0.0958 2.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8607 -2.7284 3.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0898 -2.8447 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 -2.2220 2.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1456 3.1127 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1802 -4.5610 -1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5356 -1.4077 3.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5465 -2.5747 2.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3643 -2.6136 2.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 64 1 0 0 0 0 2 25 2 0 0 0 0 3 26 1 0 0 0 0 3 33 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 4 46 1 0 0 0 0 5 15 1 0 0 0 0 5 21 1 0 0 0 0 5 25 1 0 0 0 0 6 16 2 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 7 24 2 0 0 0 0 8 24 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 23 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 26 1 0 0 0 0 21 27 2 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 55 1 0 0 0 0 28 32 1 0 0 0 0 28 56 1 0 0 0 0 29 32 2 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 M END > 69923857 > 1.4 > 1 112 29 69 61 51 118 41 134 89 60 90 86 140 14 44 114 132 102 42 39 100 77 50 32 136 85 99 122 82 52 115 104 65 123 110 107 98 78 15 63 40 142 111 120 49 93 83 121 70 105 24 116 96 141 103 73 4 79 84 48 127 19 28 46 64 95 76 31 113 58 71 34 126 9 21 38 119 16 87 72 55 137 17 125 131 10 138 36 5 68 7 18 37 133 117 139 109 47 20 80 75 53 54 25 35 62 57 108 56 23 6 67 124 106 97 101 43 128 129 74 12 135 22 2 81 45 8 13 88 3 92 66 130 91 27 11 33 94 59 30 26 > 32 1 -0.65 10 0.37 15 0.3 16 0.72 17 -0.14 18 0.17 19 0.14 2 -0.57 20 0.14 21 0.12 24 0.41 25 0.78 26 0.08 27 -0.15 28 -0.15 29 -0.15 3 -0.36 30 0.37 31 0.37 32 -0.15 33 0.28 4 -0.87 46 0.4 5 -0.48 55 0.15 56 0.15 57 0.15 6 -0.62 64 0.5 65 0.15 7 -0.62 8 -0.84 > 10 > 9 1 2 acceptor 1 3 acceptor 1 4 donor 3 1 2 25 anion 4 4 6 7 16 cation 6 17 18 19 20 22 23 rings 6 21 26 27 28 29 32 rings 6 6 7 16 17 18 24 rings 6 9 10 11 12 13 14 rings > 33 > 0 > 0 > 0 > 0 > 0 > 1 > 6 > 042AF41100000001 > 130.4557 > 45.698 > 10169797 241 18337673143753491442 10462674 125 13608848583338242292 10622 236 17823961356675593386 10928967 22 18338513161483460627 11135609 99 18194386803073407202 11524674 6 17489869315594544685 11796584 16 18343579629533272000 12422481 6 17203607120574239910 12596602 18 14261338177017251501 12643181 29 18271808990639107525 13690498 29 18334018324026730549 13782708 43 17489592230264677926 14856354 85 17676785205943556337 15119646 57 14562795631180937239 15183329 4 17312820481021896538 15250474 111 18187352234034719979 15274700 147 12838284446794705534 15351334 14 14562522969149926755 15444296 121 18339940225088163521 15510800 12 17917421081775832775 15799311 1 17676780789888611411 17138139 8 18260261988808423378 20691028 202 8141270673827309039 21792965 68 10881676975364899534 21968339 14 15936683853202489388 23559900 14 18131067143314655244 25122255 55 17917996070532867486 2838139 119 13118274923661152380 3004659 81 18334859411588133060 312425 54 16845300440278823394 3383291 50 18130784569501017711 3610482 184 17822303361585609181 392239 28 14908177564660023294 44062 13 18342175592166212757 44317340 157 15213294197293823852 484985 159 17989215845822675195 497634 4 16877948282698553995 508706 21 18272647987195307895 58902169 19 17822021874061698236 7918774 8 17917716811843703284 86090 222 16844749580932368854 > 636.61 18.92 3.39 2.64 11.74 0.26 -0.97 8.82 3.55 -5.57 0.18 3.46 1.6 -0.67 > 1345.493 > 350.3 > 2 5 10 $$$$