11303967 -OEChem-04192423173D 40 43 0 0 0 0 0 0 0999 V2000 0.0425 -3.0999 0.9264 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4221 1.7066 -0.7095 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2025 1.7957 0.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5774 0.4752 0.0165 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 -2.1805 -1.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8393 -2.7615 0.9465 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6103 -2.6578 -0.9465 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2828 -0.4259 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1597 -0.5363 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4303 0.6078 -0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3498 1.0319 0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0647 -0.5540 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9605 0.6726 -0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0516 -1.4320 -0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8899 0.8717 0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1445 -0.0028 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7946 -1.6477 0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5372 -1.2725 -0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2764 -1.7401 0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1945 1.7295 -0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4626 -0.5986 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9409 2.2370 0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5337 0.1621 -0.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2197 0.5199 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5864 1.6827 -0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3241 2.3993 0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 1.3627 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2896 1.6545 -0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7243 2.6490 -0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9749 -1.4976 0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3421 3.0614 1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1765 -0.6317 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1125 2.5873 -0.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7799 3.3343 0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1969 1.4886 0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6304 -2.8273 -1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2861 -3.3335 -1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3561 1.4409 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1356 1.9022 -1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0517 2.4936 0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 13 2 0 0 0 0 3 15 2 0 0 0 0 4 24 1 0 0 0 0 4 28 1 0 0 0 0 5 18 2 0 0 0 0 6 19 2 0 0 0 0 7 14 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 13 1 0 0 0 0 9 17 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 22 2 0 0 0 0 12 19 1 0 0 0 0 12 21 1 0 0 0 0 14 18 1 0 0 0 0 16 18 1 0 0 0 0 16 23 2 0 0 0 0 17 19 1 0 0 0 0 20 25 2 0 0 0 0 20 29 1 0 0 0 0 21 24 2 0 0 0 0 21 30 1 0 0 0 0 22 26 1 0 0 0 0 22 31 1 0 0 0 0 23 27 1 0 0 0 0 23 32 1 0 0 0 0 24 25 1 0 0 0 0 25 33 1 0 0 0 0 26 27 2 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 38 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 M END > 11303967 > 0.6 > 2 1 > 37 1 -0.14 10 0.09 11 0.09 12 0.09 13 0.47 14 0.11 15 0.47 16 0.09 17 0.15 18 0.47 19 0.47 2 -0.57 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 0.08 25 -0.15 26 -0.15 27 -0.15 28 0.28 29 0.15 3 -0.57 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.4 37 0.4 4 -0.36 5 -0.57 6 -0.57 7 -0.9 8 0.01 9 0.01 > 2 > 11 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 cation 1 7 donor 6 10 12 20 21 24 25 rings 6 11 16 22 23 26 27 rings 6 8 11 14 15 16 18 rings 6 9 10 12 13 17 19 rings > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 00AC7C1F00000002 > 130.0094 > 55.937 > 10 15 18113620122415956105 10319926 262 18263350530309097754 10411042 1 17766000498397109614 10906281 52 18263096524925340396 11112241 14 17344612962771023128 11595378 159 16878210992293462884 12236239 1 15410901755700606408 12403259 415 18339090370865006442 12730499 353 18412548695287360418 12788726 201 16558476292428106969 12838862 33 18188754112188302813 13140716 1 18335416842276503026 13402501 40 18410292523102145705 13533116 47 17988923331883228105 13617811 41 18040158396880761573 14790565 3 18266463113892806937 15196674 1 18410856581167620434 15927050 60 18335135414502936411 17980427 23 17822854324163813124 18608769 82 18336549413095543035 20715895 44 18409730677308714904 21033648 29 18128805529685114288 21133410 32 16814959361551458998 21236236 1 18338232786487479787 21279426 13 18267867177229812285 21421861 104 17749654217924104978 21521721 280 18341336621928812899 21859007 373 17460295673347429708 22122407 14 17203341043351094129 221357 26 18272651199424519773 22149856 69 18263386754242737193 22182313 1 18338817696113105718 23559900 14 18411700997460111168 27425 322 17240768444835348888 3004659 81 18334016047999992270 335352 9 18342178861195305910 3380486 145 18196107731716857123 34797466 226 17775291543006435621 34934 24 18410007745422353871 350125 39 18408323297766359892 3545911 37 18410856568288110236 3633792 109 18340765941340882537 3680242 22 18263360287741811506 4073 2 18261396688781339618 4093350 32 17418097576798679415 4340502 62 18335138674234238300 495365 180 17989196062744426138 5104073 3 18335424547310461651 5265222 85 17979082910113013852 59755656 215 18410857646477785052 9709674 26 18411140263731245015 9995097 60 18412547647441888912 > 543.77 14.55 3.02 0.87 8.11 1.41 0 -9.24 -0.7 -0.85 0.36 -0.27 0.2 1.99 > 1229.45 > 285.1 > 2 5 10 $$$$