57351894 -OEChem-04242419073D 38 40 0 0 0 0 0 0 0999 V2000 -3.8375 -1.8797 0.0682 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3052 3.0943 -0.0522 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6941 -1.4606 -1.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5416 -3.2975 -0.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 -1.3409 1.2373 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4668 0.7694 -0.5028 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 1.0122 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2254 0.3865 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1676 0.2253 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3195 -1.0076 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0557 -1.1586 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1855 -1.7739 -0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 2.4063 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3561 1.1733 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7465 0.2536 -0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0031 3.1725 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2442 2.5572 0.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8365 0.6737 -1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9274 -0.6796 0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2885 -0.7724 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1075 0.1606 -0.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1985 -1.1926 1.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6473 -1.3215 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 -1.7861 -0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2284 -2.8516 -0.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3626 0.7801 0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4754 1.6922 -0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9385 4.2522 0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 3.1563 0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 1.3999 -1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1034 -1.0053 1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9492 0.4967 -1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3284 -1.9133 1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1463 4.0443 0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1606 -0.6988 1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 -2.3459 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2532 -1.3551 -0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6259 -1.7824 -1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 2 13 1 0 0 0 0 2 34 1 0 0 0 0 3 38 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 14 26 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 21 1 0 0 0 0 18 30 1 0 0 0 0 19 22 2 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END > 57351894 > 0.6 > 1 4 3 7 8 2 5 6 9 > 33 1 1.49 10 -0.01 11 -0.15 12 -0.15 13 0.08 14 -0.15 15 0.1 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.53 20 -0.14 21 -0.15 22 -0.15 23 0.14 24 0.15 25 0.15 26 0.15 27 0.4 28 0.15 29 0.15 3 -0.68 30 0.15 31 0.15 32 0.15 33 0.15 34 0.45 38 0.5 4 -0.65 5 -0.65 6 -0.6 9 0.1 > 3 > 10 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 6 donor 4 1 3 4 5 anion 6 15 18 19 20 21 22 rings 6 7 8 13 14 16 17 rings 6 7 8 9 10 11 12 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 14 > 036B1ED600000001 > 84.9409 > 50.837 > 10319926 262 18199168639271640610 10369192 42 16697210690073879368 10411042 1 18267866262813247551 10493431 412 18055928593463498721 10616163 171 18410857625224669886 10906281 52 18270130011447509517 1100329 8 18412548708742552889 11045515 52 17967810587116876573 11315181 36 18259983773859245182 11545043 162 18059851736807947122 12107183 9 17758672244580402354 12166972 35 17894911883815765207 12236239 1 18041001718045904556 12553582 1 18338799038917427835 12616971 3 17676498207300916084 12760667 363 18410289233400024063 12788726 201 18337401516683329994 13140716 1 18342182202153017025 13167823 11 18333453123499772754 13583140 156 17632000963076838270 13782708 43 17561087999509582990 13862211 1 18341048613938151423 14420673 8 17906735804951131834 14844126 61 18409729552037924371 15042514 8 18410860923353202421 15099037 37 18343587330288113285 15196674 1 18410013243386492796 15250474 111 18260820459185288786 16087824 20 18340204078515503141 16752209 62 18411972559678936278 16992727 255 18191005830587741845 17492 89 18408889503875048026 18222031 100 18129657646579757279 18927931 339 18342179959742017871 19377110 9 18260264183874250304 200 152 18040715887534609666 21033648 29 17202463560194509682 21065198 48 18334013878977944510 21236236 1 18341892970116670677 21267235 1 18335710450788941178 21792934 111 18411973689677419665 22182313 1 17845110492509849391 2297311 6 18342750611056811622 23402539 116 18343015597390354887 23557571 272 18131082506132364612 23559900 14 18339349885547592009 25147074 1 18261972806951899460 2748010 2 17762640399388659221 3004659 81 17967806180749442574 312423 11 18187376440997505140 335352 9 18411418432516522349 4214541 1 18409729517820441300 4409770 3 18189326875878420461 5104073 3 18413105053141294328 5265222 85 18202285828020062606 559249 180 18261388906010500539 56633871 153 17467896486205271394 573450 72 18335980879214917376 5924683 9 18411696569544040378 7097593 13 17899969440099282626 7471813 234 18268421511257084084 7970288 3 18338513170036907070 9709674 26 18271249296561300158 > 448.72 11.8 3.22 0.92 15.65 1.12 0.01 -5.92 1.3 -4.77 0.22 0.19 -0.17 -1.13 > 977.377 > 244.7 > 2 5 10 $$$$