4795341 -OEChem-05241313563D 42 45 0 0 0 0 0 0 0999 V2000 6.8471 1.8933 -0.0965 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.3305 -0.7406 -0.5194 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3883 -0.1221 0.1886 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 1.0791 0.4175 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9442 -2.2617 -0.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4695 -0.4418 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2933 0.3725 -1.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4245 0.7184 1.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2507 1.5104 -0.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5938 -0.8140 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4329 0.6255 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8281 -0.1508 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -2.1922 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8849 -0.6103 0.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3508 1.3810 -0.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 -0.9241 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 1.2436 0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7331 -2.8634 -0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1823 -1.0655 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6483 0.9259 -0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 -0.2647 -0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1564 1.8770 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0641 -0.2974 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3091 1.1217 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1472 -0.6227 2.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0237 -1.3633 1.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 -0.4544 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 0.7401 -1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1011 0.4700 2.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8428 1.5874 1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6774 2.3828 -0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8033 1.8241 -1.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6027 -2.7394 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2354 -1.2449 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 2.3438 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0339 1.8608 0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7523 -3.9412 -0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4943 -2.0204 0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3315 1.5299 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1301 -0.8476 -0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2064 2.9561 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4463 -1.6018 -0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 23 1 0 0 0 0 2 42 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 8 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 16 2 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 33 1 0 0 0 0 14 19 1 0 0 0 0 14 34 1 0 0 0 0 15 20 2 0 0 0 0 15 35 1 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 23 2 0 0 0 0 19 38 1 0 0 0 0 20 23 1 0 0 0 0 20 39 1 0 0 0 0 21 24 2 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 M END > 4795341 > 0.6 > 3 17 21 19 14 16 13 10 8 9 2 15 20 18 5 12 7 11 1 6 4 > 33 1 -0.18 10 0.1 11 0.1 13 -0.15 14 -0.15 15 -0.15 16 0.31 17 -0.15 18 0.16 19 -0.15 2 -0.53 20 -0.15 21 -0.15 22 -0.15 23 0.08 24 0.18 3 -0.84 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.84 40 0.15 41 0.15 42 0.45 5 -0.62 6 0.37 7 0.37 8 0.37 9 0.37 > 3.2 > 8 1 2 donor 1 3 cation 1 4 cation 1 5 acceptor 6 11 14 15 19 20 23 rings 6 12 16 17 21 22 24 rings 6 3 4 6 7 8 9 rings 6 5 10 12 13 16 18 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 00492BCD00000003 > 100.7878 > 40.632 > 10 15 18260823852578457720 10165383 225 18338517543215083980 10299344 5 17917713513867988983 10366900 7 18115322093975893312 10411042 1 17979355254058143118 10595046 47 18342739581343639385 10693767 8 17843976849642804694 10835480 77 18335977589402383413 11089746 13 14996288045495669644 11421498 54 16773524265467395066 11719270 70 18412257325349929050 12107183 9 17478901484779902665 12236239 1 17560805403050132424 12516196 113 18342455946209394729 12730499 353 18411703197126970986 12788726 201 17060345080654767659 13009979 54 16985753001057713698 13402501 40 18259984890176721972 13533116 47 18201439151345262746 14123256 10 18343021120544347297 14461889 52 18335699485505313602 14528608 73 18411702084250464972 14856354 85 16487257712247086669 15142383 8 9511471004308671938 15537594 2 17704347784491745799 15961568 22 17749112205583337044 16989378 47 16843057312510499182 16993427 108 16955330583928157154 16993438 75 18118125994683309643 17349148 13 14996286885822831581 17492 89 17986115097729670462 17844677 252 18340774732489818245 18335252 98 18410015476790728763 19319366 153 18060128843608180702 19377110 9 17918001542247323955 19489759 90 16877660167264716137 200 152 18201718418940671025 20157964 124 18409450288953215024 20645477 70 18341332184758539166 21033650 10 16155121473848789917 21049683 271 18272368732938462449 21065198 48 18130794408279368009 21344244 181 17131285614198333462 21521239 73 17703239447107018822 22224240 67 18338513140609536560 22393880 68 17896878764447891143 23402539 116 17530963596572970117 23516275 137 17559701502483797543 23522609 53 17488486168484949289 23559900 14 18337105761141119273 239999 70 18342178813260394110 3004659 81 18335701594297351627 3009799 131 17313100865430212101 335352 9 18412834591119775508 34797466 226 18130795554998608893 3545911 37 18412265055895026416 4072396 5 14490189401666575858 4073 2 18187089459751564243 4098825 35 18339922611679963793 42630746 31 18341895182489116830 4325135 7 18343020012284328181 4340502 62 18343016709834441406 5104073 3 18261680263785990473 5283173 99 17968934185322252869 5312625 73 18341893004228541257 5486654 2 18201440315196919375 59755656 215 18408890629256115422 6327066 14 18192435401836010164 6669772 16 17630028597962087624 > 474.97 16.53 2.24 0.97 9.45 1.04 0.22 -3.39 -2.47 -2.91 -0.27 0.64 -0.1 0.68 > 1034.853 > 259.4 > 2 5 10 $$$$