1965990 -OEChem-03282418103D 37 40 0 0 0 0 0 0 0999 V2000 7.1631 -1.3878 0.9103 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4241 -2.0249 0.4777 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3982 0.9806 -0.2569 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1548 3.0930 -1.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1466 -0.7056 0.1509 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3051 1.1218 -0.7625 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8767 -0.7623 0.8497 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8963 1.2854 -0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2542 -0.1107 -0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9119 -0.1625 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5079 1.5416 0.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7793 2.0153 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7753 -2.1453 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3651 -1.0581 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 0.6686 0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1637 1.9188 -0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 0.0387 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8925 1.6218 1.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1839 1.0427 1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4071 -3.4714 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6913 -0.3271 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 -0.2147 -1.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7723 -0.9401 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6002 -0.8277 -2.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7268 -1.1902 -1.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 3.0541 -0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3679 -0.9016 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 2.0316 2.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8304 0.9208 2.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3687 -3.7370 1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 -4.2434 -0.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4562 -3.4768 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7436 -0.1396 1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6596 0.0522 -2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1337 -1.7303 1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5651 -1.0229 -3.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5617 -1.6671 -1.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 5 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 4 16 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 9 2 0 0 0 0 6 16 1 0 0 0 0 7 10 2 0 0 0 0 7 35 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 8 16 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 M END > 1965990 > 0.6 > 1 14 4 18 2 8 11 3 9 6 10 5 7 12 19 15 20 16 17 13 > 34 1 -0.18 10 0.49 11 0.09 12 -0.11 13 -0.06 14 -0.14 15 0.09 16 0.77 17 0.05 18 -0.15 19 -0.15 2 -0.06 20 0.14 21 -0.15 22 -0.15 23 0.18 24 -0.15 25 -0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.28 33 0.15 34 0.15 35 0.4 36 0.15 37 0.15 4 -0.57 5 -0.12 6 -0.66 7 -0.85 8 0.03 9 0.49 > 2.2 > 9 1 3 acceptor 1 4 acceptor 1 6 donor 1 7 donor 3 5 7 10 cation 5 2 5 9 13 14 rings 5 3 11 15 18 19 rings 6 17 21 22 23 24 25 rings 6 5 6 8 9 10 16 rings > 25 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 001DFFA600000001 > 76.125 > 45.804 > 10 15 11240001183047583191 10369192 42 17908971447008516888 10981352 41 17915457410139104999 11545043 162 18343016696669958385 11796584 16 18339075970082119658 11809386 21 18259982656508644963 12236239 1 17095526158477627548 12623949 98 17842568623769721991 12633257 1 16128377124671078805 12954195 1 18337949000923962837 13103583 49 14333405657716336628 13402501 40 18201725062902208934 13540713 4 18268127907747092033 13544653 18 17275104982016953672 13673619 4 18341900731317721129 13685833 64 18201442505619762442 13782708 43 18272087235763916519 14216079 64 18341614880271197183 14251751 18 18411699898307394014 14294032 229 17751350687341987829 14347332 77 18333732429222658327 14848160 23 18202279161739844438 14849402 71 13541592385725053938 14950920 106 15984543446464837443 15183329 4 16515405141109199402 15238133 3 9511456685831907718 15461852 350 18261115137523794038 15510800 12 18060145289180427686 17870717 6 18410014304032340669 193927 3 17989496212138699732 20374829 77 18411138034621774984 20403669 9 18272655661953510750 20642791 268 13254790257543727320 21054139 6 18040151804163717634 21065201 7 18337659863129523561 21267235 1 18260830445379234427 21307412 95 18410567423460093855 21623969 137 17561362877342160182 23198884 109 16950286195638905166 23379529 103 18193280912812326771 23559900 14 18337662113792931393 2838139 119 15285359496798402462 3004659 81 18040712572189083522 3089732 80 18271813448821071895 314194 84 16916778566330306468 329604 57 18341337755768757588 439807 62 18260831518377740587 44062 13 18410855447617800071 46194498 28 18340205310158039924 5104073 3 18060139863955932784 5718773 13 18200024179076545983 59682541 35 17846205671649890210 59682541 52 15357964660607362474 59755656 215 18411133607243995367 59755656 520 18126851495865243681 6009941 240 17631457769482674177 636775 8 17988095400957335758 6823239 73 18340196470830060424 7970288 3 18263361567764021155 86090 222 17417268584161653902 8863177 126 18200311151067705850 9862886 166 18411981339187921906 > 483.81 15.79 2.78 1.45 9.93 0.51 0.13 12.75 1.86 -4.75 -0.12 1.84 -0.18 1.92 > 1071.629 > 260 > 2 5 10 $$$$