69689456 -OEChem-04182410333D 66 69 0 0 0 0 0 0 0999 V2000 6.8971 1.3923 -1.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 1.8709 -1.3825 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6521 -0.5123 -0.2309 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2716 0.2695 -0.2964 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 1.0272 1.4974 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5600 0.0503 0.2312 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4893 1.3113 0.5438 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9857 -0.6111 1.9068 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6191 -2.2548 2.3149 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3634 -0.2451 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 1.0780 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5147 -1.2737 0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7349 0.1332 1.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1858 0.8314 -1.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8766 -0.6256 0.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2903 -0.9251 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6947 -2.1140 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9168 -0.3502 -1.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5997 0.6240 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 2.4724 1.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6789 0.5506 1.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 -2.7280 -0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0522 -0.9642 -2.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 -2.1531 -2.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9725 0.3128 0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 0.8619 0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -1.0320 1.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1826 -0.3412 0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6503 1.5815 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 -0.8013 0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9579 1.1306 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3814 -0.0621 -0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5910 2.8567 -0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8792 -1.3607 -1.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2244 1.6870 -0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3036 1.7198 0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2841 -1.9511 1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6165 -1.9112 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 0.6040 2.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4306 -0.7595 2.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 0.1273 -1.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 1.7715 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8746 -0.0355 1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6145 -1.4252 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 -2.5854 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3543 0.5557 -2.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8686 2.7241 1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 2.9819 2.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 2.8839 0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7379 -3.6537 -0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3405 -0.5198 -3.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4022 -2.6313 -2.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 -0.4616 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1997 1.2774 0.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5327 -0.4799 0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2333 0.3440 -0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3356 2.5174 -0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8513 -1.7331 1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5591 -2.3464 2.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8869 -2.7246 2.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2204 3.3566 -1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9448 3.6037 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2372 2.3906 0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9387 -1.6304 -1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2857 -2.2765 -1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6356 -0.8395 -2.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 31 1 0 0 0 0 2 33 1 0 0 0 0 3 32 1 0 0 0 0 3 34 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 19 1 0 0 0 0 5 13 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 19 1 0 0 0 0 6 25 1 0 0 0 0 6 53 1 0 0 0 0 7 21 2 0 0 0 0 7 26 1 0 0 0 0 8 21 1 0 0 0 0 8 27 2 0 0 0 0 9 27 1 0 0 0 0 9 59 1 0 0 0 0 9 60 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 22 1 0 0 0 0 17 45 1 0 0 0 0 18 23 2 0 0 0 0 18 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 22 24 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 28 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 57 1 0 0 0 0 30 32 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 M END > 69689456 > 1 > 6 87 144 135 69 113 156 99 35 142 121 88 145 151 71 140 72 128 49 134 62 59 80 43 133 132 54 149 108 17 94 84 107 50 106 101 56 129 61 65 137 85 153 33 81 79 147 44 39 126 119 60 78 32 42 13 86 36 103 15 120 92 115 51 73 98 64 143 76 27 131 114 38 130 112 105 93 21 57 127 155 118 90 19 55 30 96 136 157 45 91 20 10 63 148 66 111 154 41 68 34 122 16 138 116 110 152 77 83 14 102 104 100 75 67 11 82 97 18 29 70 22 53 95 141 58 46 25 109 8 117 150 52 47 123 146 23 37 1 89 3 124 74 158 40 7 28 4 31 26 5 24 125 12 9 48 2 139 > 41 1 -0.57 10 0.14 13 0.37 14 0.3 15 0.3 16 -0.14 17 -0.15 18 -0.15 19 0.69 2 -0.36 20 0.37 21 0.72 22 -0.15 23 -0.15 24 -0.15 25 0.3 26 0.31 27 0.41 29 -0.15 3 -0.36 30 -0.15 31 0.08 32 0.08 33 0.28 34 0.28 4 -0.66 45 0.15 46 0.15 5 -0.84 50 0.15 51 0.15 52 0.15 53 0.37 57 0.15 58 0.15 59 0.4 6 -0.73 60 0.4 7 -0.62 8 -0.62 9 -0.9 > 9.2 > 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 6 donor 1 9 donor 4 5 7 8 21 cation 6 16 17 18 22 23 24 rings 6 26 28 29 30 31 32 rings 6 4 10 11 12 14 15 rings 6 7 8 21 26 27 28 rings > 34 > 0 > 0 > 0 > 0 > 0 > 1 > 6 > 0427607000000006 > 149.7062 > 50.783 > 10076449 9 18060422451323572770 10906281 52 18198637548700071905 10930396 42 17916844886950100104 11135926 11 17489596640763548183 11578080 2 14690854783852848682 11991303 11 17988644150788897838 12011746 2 17918277558241531378 13583140 156 18336554914284024034 13782708 43 10087631598617629689 13911987 19 18060140924833719133 14040221 97 16984317360799064808 14747281 78 18270407083946007425 15131766 46 17317059253878920100 15183329 4 17530961384469991424 15849732 13 18411982464696298092 17492 54 17775000154970924759 17980427 23 17821736026686694431 18681886 176 18342731944570267856 23559900 14 18114464573142278712 23569914 2 17246628880551426836 23569943 247 15695503649566858830 23576562 1 18200021988120914293 283562 15 17274555213154335480 2838139 119 18113902679861575525 3383291 50 16558750152502070662 3493558 16 17604445083865586052 484989 97 17915737781166574783 57527295 17 18129932374985570665 57527358 35 16808159066219853389 6009941 240 17967255304159814506 6669772 16 17773861155756617290 > 652.21 18.34 2.37 1.97 16.42 0.22 -0.15 -5.97 6.15 -2.43 0.53 -0.82 0.45 0.69 > 1402.893 > 357.2 > 2 5 10 $$$$