15998125 -OEChem-04252408023D 56 60 0 0 0 0 0 0 0999 V2000 -0.3777 -2.1185 -2.0340 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8126 -1.4576 -0.8323 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8116 4.4767 -0.3358 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.5637 2.5826 -1.1519 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -0.2868 1.3448 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0282 0.5092 0.2871 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7427 -1.3879 0.2900 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0032 0.6789 1.2076 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6823 3.2484 -0.5567 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7417 -0.7750 1.9514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6787 -0.1204 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8894 0.2099 1.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 0.8859 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 -1.2088 1.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2557 1.0067 -0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8383 -0.5908 0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3412 2.2640 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4433 0.2659 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9588 -0.8541 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1684 1.2958 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1676 0.5852 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 -2.7629 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5647 2.7605 -1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6669 0.7624 -0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3339 1.2276 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 2.6646 0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7276 2.0097 -1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7836 -3.0792 -1.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8851 -3.7603 0.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5015 2.5914 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5093 3.3102 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5161 -4.4146 -1.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6176 -5.0958 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9331 -5.4229 -0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0134 -1.7581 1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6082 -0.8961 3.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 0.2526 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9284 -1.0842 -0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7035 1.1433 2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 -0.2294 2.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9482 0.9041 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 1.8894 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -2.2138 1.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -1.2721 2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4587 2.8832 -0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -0.7147 0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6128 3.7328 -1.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5721 0.1767 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0978 0.6543 -0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5844 3.2369 1.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6802 2.3962 -1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4183 -3.5145 1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6045 4.3741 0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 -4.6689 -2.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9421 -5.8808 1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7247 -6.4626 -0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 19 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 22 1 0 0 0 0 8 16 2 0 0 0 0 8 20 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 23 1 0 0 0 0 17 45 1 0 0 0 0 18 24 2 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 25 1 0 0 0 0 22 28 1 0 0 0 0 22 29 2 0 0 0 0 23 27 2 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 25 30 2 0 0 0 0 25 49 1 0 0 0 0 26 31 2 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 32 2 0 0 0 0 29 33 1 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 31 53 1 0 0 0 0 32 34 1 0 0 0 0 32 54 1 0 0 0 0 33 34 2 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 M CHG 2 3 -1 9 1 M END > 15998125 > 0.8 > 1 20 27 10 38 18 31 13 32 30 16 15 12 36 29 6 8 19 28 14 35 37 11 9 34 17 5 7 3 2 33 25 23 4 21 24 26 22 > 46 1 -0.19 10 0.27 11 0.27 12 0.37 13 0.37 14 0.33 15 0.1 16 0.45 17 -0.15 18 -0.15 19 0.54 2 -0.57 20 0.18 21 0.09 22 0.12 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 0.19 29 -0.15 3 -0.52 30 0.13 31 -0.15 32 -0.15 33 -0.15 34 -0.15 4 -0.52 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.81 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 6 -0.84 7 -0.24 8 -0.63 9 0.91 > 6.2 > 11 1 2 acceptor 1 3 acceptor 1 3 anion 1 4 acceptor 1 5 cation 1 6 cation 6 15 17 18 23 24 27 rings 6 20 21 25 26 30 31 rings 6 22 28 29 32 33 34 rings 6 5 6 10 11 12 13 rings 6 7 8 16 19 20 21 rings > 34 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00F41CAD00000001 > 137.7572 > 55.936 > 10369192 42 18335985286020610245 10675989 125 17909841941877308512 10985338 8 17827620483601047377 11049842 53 18197766718516960106 11763715 3 17471309808025180238 11828042 200 18193263312796367303 11991303 11 18413106169210461110 12013929 112 18264783073885661060 12107183 9 18190172396420416794 12788726 201 18191297380729644179 13150687 139 18338803308204181924 13257819 37 18342735217677842103 133893 2 17554335709445254499 13540713 5 18041263457827583362 13690498 29 18053669354671199058 13757389 114 18339360876658786743 13911987 19 18341047424580636465 14040221 304 18264756685264346573 14114206 34 17980463874572978398 14114211 68 18128533770013993953 14251757 5 18270682085989563650 14294032 229 18342177791448119411 15064981 113 18270953549830134940 15064981 194 17969796365129767117 15131766 46 16660917911305504796 15163728 17 18340491049989295903 15198563 99 18125712642220751999 15297060 5 18272092660629579689 15439362 3 18193840336196437558 15444296 8 17983018048251899870 15876981 60 18046350996332925086 16992828 155 17894341172788680844 19053607 189 18122893244940704841 20101258 96 17906176504907094187 20505436 4 18040714753779334458 20511986 3 18040989661920425392 21033648 144 17895189944821353101 21033650 10 17274830103819990240 21133410 127 17899137105033500532 21781055 127 17915459398513102912 22956985 138 8861212113806861303 23366157 5 17763179142827201331 23569943 247 13396979007244431548 24771750 20 18198342853861698191 249057 3 18339362943128944986 255183 451 17190378028556056887 27425 322 18040999505895596122 3552219 110 17243025819501098035 3610482 184 17897181310966439412 4015057 19 15841263852712950666 4058900 60 18269280062571977233 4409770 3 18339926038531291355 44249763 50 18270955877877053984 44802255 64 18342187695305327846 484985 159 15553899921298723487 497634 4 17387124480759148018 504843 32 18335423469585022995 5219985 13 18337383842782312501 5265222 85 18412543228005489545 531348 171 18338805606571263546 563151 74 16588026766604444640 57527295 17 15984547680737666761 6058803 2 18042667546945331450 6327066 14 18335138644465574549 6700243 42 17480064025427242420 6898599 12 18337394949894878660 9981440 41 18410296878737151955 > 649.92 16.13 6.6 1.48 29.79 6.27 -0.2 -21.69 5.95 -11.96 1.91 0.61 0.55 -0.94 > 1432.665 > 349.2 > 2 5 10 $$$$