67720008 -OEChem-05102419243D 69 73 0 0 0 0 0 0 0999 V2000 -1.4262 2.9736 0.2279 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 1.7963 1.6943 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 1.4102 0.3575 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0397 3.4419 1.2286 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2021 0.4617 0.3288 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8684 3.0973 0.4662 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7078 -0.4410 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1453 -0.6585 -0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6487 -1.3260 -0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1533 0.6487 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5386 -0.7358 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1462 1.3896 0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9018 -1.5471 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9627 0.6024 -1.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9153 2.1974 -0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5861 -2.5761 -1.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7903 -1.3359 -0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8285 1.7973 0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 -3.1881 -1.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8278 -2.5756 -1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9282 -2.3873 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5609 1.3927 -2.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5558 -1.5058 1.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0995 0.9459 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6086 -3.1863 0.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2961 2.5268 -2.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 -2.3046 2.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8347 2.0798 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3886 4.4464 0.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2625 -3.1449 2.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4330 2.8703 -1.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1952 2.7036 0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7936 0.9465 0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9052 -0.4783 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2828 -0.7616 -1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6315 -1.5192 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3868 -2.0859 -1.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7354 -2.8437 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1130 -3.1270 -0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1753 -1.2519 -1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 2.0467 1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8365 0.8002 1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4309 1.5270 -0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2209 2.7798 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4863 -3.0697 -1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7043 -0.8696 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7137 -4.1525 -2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7839 -3.0692 -1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2085 -2.4294 -1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 1.1345 -2.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7648 -0.8645 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4499 0.3847 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4079 -3.8403 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9837 3.1418 -3.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9670 -2.2724 3.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7172 2.3509 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0759 4.9375 -0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 5.0395 1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5393 4.3681 1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7922 -3.7668 2.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0048 3.7538 -1.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9046 3.7428 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0271 1.0197 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5061 1.5763 0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4961 0.0409 -1.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3331 -1.3110 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6796 -2.3066 -2.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5205 -3.6542 1.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1927 -4.1581 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 62 1 0 0 0 0 2 18 2 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 32 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 15 1 0 0 0 0 6 29 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 40 1 0 0 0 0 9 11 1 0 0 0 0 9 16 2 0 0 0 0 10 18 1 0 0 0 0 11 17 2 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 21 2 0 0 0 0 13 23 1 0 0 0 0 14 22 2 0 0 0 0 14 24 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 17 20 1 0 0 0 0 17 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 25 1 0 0 0 0 21 49 1 0 0 0 0 22 26 1 0 0 0 0 22 50 1 0 0 0 0 23 27 2 0 0 0 0 23 51 1 0 0 0 0 24 28 2 0 0 0 0 24 52 1 0 0 0 0 25 30 2 0 0 0 0 25 53 1 0 0 0 0 26 31 2 0 0 0 0 26 54 1 0 0 0 0 27 30 1 0 0 0 0 27 55 1 0 0 0 0 28 31 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 65 1 0 0 0 0 36 38 2 0 0 0 0 36 66 1 0 0 0 0 37 39 2 0 0 0 0 37 67 1 0 0 0 0 38 39 1 0 0 0 0 38 68 1 0 0 0 0 39 69 1 0 0 0 0 M END > 67720008 > 1.2 > 1 8 88 31 112 101 92 109 79 50 123 110 14 97 5 117 91 98 119 104 6 75 58 22 24 111 125 99 40 46 45 7 102 71 100 72 20 87 80 28 15 39 96 59 121 38 83 84 68 34 9 94 118 74 113 116 85 33 48 10 62 54 76 120 115 47 12 44 56 107 35 30 78 17 106 86 52 11 69 21 18 41 67 55 90 53 27 3 89 2 122 43 114 82 60 42 57 70 77 51 19 61 124 95 103 32 105 65 63 37 64 26 108 66 4 29 93 73 23 16 81 36 49 13 25 > 58 1 -0.65 10 -0.24 11 -0.15 12 0.26 13 -0.14 14 -0.14 15 0.3 16 -0.15 17 -0.15 18 0.81 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 0.3 3 -0.43 30 -0.15 31 -0.15 32 0.78 33 0.42 34 -0.14 35 -0.15 36 -0.15 37 -0.15 38 -0.15 39 -0.15 4 -0.57 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 0.05 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 6 -0.66 60 0.15 61 0.15 62 0.5 65 0.15 66 0.15 67 0.15 68 0.15 69 0.15 7 -0.18 8 0.47 > 11 > 10 1 1 acceptor 1 2 acceptor 1 4 acceptor 1 5 cation 3 1 2 18 anion 5 5 7 9 10 11 rings 6 13 21 23 25 27 30 rings 6 14 22 24 26 28 31 rings 6 34 35 36 37 38 39 rings 6 9 11 16 17 19 20 rings > 39 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0409534800000001 > 112.0401 > 50.897 > 10290309 65 18053938734788298480 10319926 262 18040435494800051767 10675989 125 17040067638202437717 10906281 52 18126566704882830823 12128747 34 18114465655880446538 12422481 6 18059307503815671082 13782708 43 18335425711310278295 13811026 1 18409721876862683654 14415360 78 17974841775773896901 14955137 171 18342465820281082210 15001296 14 18408877426521762720 16090146 7 16271917217016664007 19611394 137 18337967735656444842 21279426 13 18410851045244952452 21792965 270 18410584972522560137 23559900 14 18341602694625707897 4144715 1 18333734640967116883 513202 73 18261673791834926627 > 769.16 17.07 5.29 1.93 14.54 1.83 0.08 -5.05 -0.15 0.39 0.81 -2.11 -0.44 6 > 1685.022 > 414.9 > 2 5 10 $$$$