59069172 -OEChem-04262422483D 50 52 0 0 0 0 0 0 0999 V2000 -0.6708 -1.6446 -0.6323 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9790 -1.6105 0.2224 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 0.1246 0.1027 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3792 1.7945 -0.8987 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9235 -0.7680 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7297 -0.7364 0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7978 1.5384 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2676 -1.2899 -0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6623 -3.0268 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 -0.4486 -0.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4948 0.5112 -0.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2364 2.3374 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7186 -0.0809 -1.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9146 2.1550 0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6174 0.1764 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7226 -3.9173 0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1403 3.7337 -0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6556 -0.6201 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9988 3.5461 0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9714 4.3361 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9967 -1.9726 -0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1866 0.2307 0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8691 -2.4743 0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0589 -0.2708 1.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4002 -1.6234 1.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 0.2596 -0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6113 -1.1226 -1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0065 -0.4113 1.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3099 -1.7398 0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0734 -1.8508 0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 -1.5380 -1.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7154 -3.2800 0.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 -3.2788 -1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4107 -0.8534 -2.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2362 0.6904 -2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 1.5914 1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6940 0.3139 -0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3938 0.5273 0.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1247 0.8293 -0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3534 -4.9481 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 -3.6101 1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6466 -3.9444 0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9387 4.3612 -0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0108 1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0342 5.4183 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5906 -2.6475 -1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9387 1.2886 0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1347 -3.5274 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 0.3920 2.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0798 -2.0138 2.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 12 1 0 0 0 0 7 14 2 0 0 0 0 8 15 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 16 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 12 17 2 0 0 0 0 13 18 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 19 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 22 24 2 0 0 0 0 22 47 1 0 0 0 0 23 25 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 M END > 59069172 > 0.8 > 7 40 29 36 25 83 49 55 34 8 63 35 14 67 84 26 44 13 74 41 16 53 45 73 52 81 31 50 76 64 23 82 24 70 47 57 54 39 21 61 65 43 30 78 58 80 68 56 77 38 18 12 27 46 9 37 10 69 28 17 71 51 72 79 19 6 2 66 3 33 4 32 15 48 11 59 75 62 60 5 20 1 22 42 > 32 1 -0.57 10 0.63 11 0.39 12 0.18 13 0.2 14 -0.15 17 -0.15 18 -0.14 19 -0.15 2 -0.81 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 -0.15 3 -0.48 36 0.15 4 -0.63 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 0.27 50 0.15 6 0.3 7 0.12 8 0.27 9 0.27 > 7 > 6 1 1 acceptor 1 2 cation 1 4 acceptor 6 18 21 22 23 24 25 rings 6 3 4 7 10 11 12 rings 6 7 12 14 17 19 20 rings > 25 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 038552F400000007 > 63.5281 > 30.476 > 10074138 170 17765140679654738552 10622 236 17557114484651342519 11045515 52 18187645748163457612 11763715 3 18119835546442935636 12107183 9 18270694082471570777 12166972 35 17894635838542633068 12422481 6 17417254204098904198 12553582 1 18341319033790166542 12788726 201 18191589653581002490 13103583 49 18200607921029385619 13140716 1 17692522729634004200 13533116 47 18193560185019356291 13911852 28 18410853231315084959 13955234 65 18124877008481590777 14251757 5 18046617902744040101 14251764 30 18408888412457378970 14363568 33 18340483473656774048 14739800 52 16915376839102115769 14787075 74 18186524315096208586 14790565 3 17760932144249616604 14950920 106 18052006828945139819 14955137 171 18343029895019894070 15042514 8 18051976918032883152 15475509 84 18130801031668149913 15527383 91 18412831295941057065 15927050 60 17693378159124449284 17492 89 18267024045681182107 1813 80 18200888304525000084 18785283 64 18192145125832733384 20028762 73 17116911972875305583 20101258 96 18340488846555340376 20603629 256 18267589185830008481 20739085 24 18342184405054339221 21029758 27 18412824668426854364 21041028 32 18343023280939699673 21049683 271 18262808496308818188 21365058 27 17686633745561390500 22182313 1 18192403407643342980 22950370 63 18410296886757393366 23559900 14 18410002274314059195 23566358 27 18195527232030970997 3117164 225 18341619205170986577 314194 84 18410571807714393214 3421961 26 18339360867667762841 3737641 26 18339365154272549074 4409770 3 17829606163441528925 458136 41 17977103784012434325 5104073 3 18197489628912497842 59444896 2 17761825836770687076 621550 5 18040716944059661373 6371380 46 18259702282014012379 6442390 28 17401209370317437713 7097593 13 18199467852056802413 7164475 11 18195243318183008838 7495541 125 18336266837778977374 79837 15 17189253795322098768 > 493.68 11.66 4.98 1.11 1.39 3.16 0.02 -12.76 -2.44 -5 -1.08 1.05 -0.03 0.5 > 1047.172 > 275.4 > 2 5 10 $$$$