24705050 -OEChem-03282410413D 37 38 0 0 0 0 0 0 0999 V2000 5.5862 0.3988 -0.1607 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0906 -2.6677 0.1761 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 3.6146 0.4129 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6967 -0.4663 -0.0225 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6403 2.3206 0.7154 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1028 -0.6293 0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9574 0.4700 -0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -0.9703 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6301 -1.9130 0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3389 0.2853 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2992 -1.4502 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4399 1.8248 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0116 -2.0976 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8659 -0.9984 0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6805 -1.7983 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9772 0.3179 0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3025 -0.0502 -0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -1.3382 -0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2931 0.7780 0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8297 2.6439 -1.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8291 1.7258 0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4003 0.4932 -0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0428 -2.8161 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0181 1.1320 -0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4237 -3.0966 0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9415 -1.1421 0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -2.8034 -0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2333 0.9839 0.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7781 -1.9872 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 1.7853 0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3887 3.5301 -1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9272 2.9476 -1.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4521 2.0552 -2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9011 1.9172 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5988 1.8272 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3046 2.4685 -0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6421 3.8146 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 11 2 0 0 0 0 3 5 1 0 0 0 0 3 37 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 22 1 0 0 0 0 5 12 2 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 15 2 0 0 0 0 8 16 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 27 1 0 0 0 0 16 19 2 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END > 24705050 > 0.8 > 1 9 12 16 5 15 14 11 3 8 13 7 6 10 17 4 2 > 31 1 -0.36 10 -0.15 11 0.54 12 0.3 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 0.08 18 -0.15 19 -0.15 2 -0.57 20 0.06 21 0.28 22 0.37 23 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.34 30 0.15 37 0.4 4 -0.55 5 -0.51 6 0.12 7 0.09 8 0.09 9 -0.15 > 5 > 7 1 1 acceptor 1 2 acceptor 1 3 anion 1 4 donor 1 5 acceptor 6 6 7 9 10 13 14 rings 6 8 15 16 17 18 19 rings > 21 > 0 > 0 > 1 > 0 > 0 > 1 > 5 > 0178F81A00000001 > 82.7229 > 35.522 > 10498660 4 18336543807187457332 10646746 165 18338235960257204654 10670039 82 18262817228409796052 11595378 159 17968360313087149592 12107183 9 17612017184528332986 12596602 18 17241040007153894600 12916748 109 18408045121756964778 13402501 40 18342173427170600600 138480 1 15168550288919748321 14341114 176 18409173194648149382 15196674 1 18340488876413993250 15961568 22 18335425716180265692 17844677 252 18410581648027546838 20510252 161 18410856534244701323 20645477 70 17632588106824131934 21315764 268 18336256934196647140 21623110 236 18339933700547212873 21652331 79 18411982463899758182 221357 26 18201440255315128238 22182937 141 18055641616216645081 22393880 68 18265618680515035422 2297311 6 18340217352945352263 23352939 185 18202286931034990225 23402539 116 18340763848815953958 23557571 272 18412550898557941879 23559900 14 18053378799849060814 23845131 108 17545618755870718441 245318 6 16882182635000443556 283562 15 18407758132253346827 350125 39 18410577322520868912 3545911 37 18411703192378556846 4028521 119 18336823087741464605 4214541 1 18337955593144614462 5104073 3 18336830792670467546 5281201 14 18200883881178475862 59755656 215 18412267220395364438 9709674 26 18199190581257547399 9981440 41 18113900446468155995 > 404.6 11.36 3.17 0.78 10.15 1.89 -0.13 1.12 -0.09 -2.05 -0.1 -0.16 0.3 1.05 > 862.525 > 225.5 > 2 5 10 $$$$