Spaces:

sandl
/

private_polymer_compound_prediction

Sleeping

App Files Files Community

private_polymer_compound_prediction / Structures /AG /xyz /DDDA.xyz

bndl

Upload 115 files

4f5540c about 2 years ago

raw

history blame contribute delete

243 kB

	38
	-53.2493531717000 0.189409275218883 !md1
	C 1.88358677 1.35553025 0.09079406
	O 1.27985069 1.56856193 -0.94514074
	O 1.34984796 1.49742108 1.27835281
	H 0.36232968 1.67074198 1.22981689
	C 3.32091455 0.90012009 0.11089499
	C 3.50037857 -0.39216703 -0.70104929
	C 3.21150229 -1.66841696 0.09343073
	C 1.81112080 -1.76894339 0.70070420
	C 0.68766629 -1.82299020 -0.33290707
	C -0.68821345 -1.82286187 0.33305876
	C -1.81172628 -1.76902279 -0.70049929
	C -3.21203209 -1.66795255 -0.09313518
	C -3.50043412 -0.39151251 0.70121026
	C -3.32062219 0.90063070 -0.11088482
	C -1.88316205 1.35563804 -0.09098732
	O -1.27942942 1.56924568 0.94482853
	O -1.34933935 1.49661533 -1.27861400
	H -0.36180095 1.66986334 -1.23014660
	H -3.64420674 0.76728368 -1.14257761
	H -3.91362551 1.69334150 0.35009512
	H -2.86141327 -0.33859340 1.58380190
	H -4.53421240 -0.44275575 1.04870648
	H -3.94122411 -1.74130834 -0.90436453
	H -3.37307768 -2.52123244 0.57052734
	H -1.76992913 -2.67677948 -1.30842594
	H -1.64528110 -0.92777953 -1.37402802
	H -0.75335609 -0.96039385 0.99794187
	H -0.79977430 -2.71924461 0.94811675
	H 0.75288254 -0.96070485 -0.99802070
	H 0.79919572 -2.71955017 -0.94771186
	H 1.76906957 -2.67643212 1.30901508
	H 1.64478473 -0.92738594 1.37386863
	H 3.94060721 -1.74191016 0.90472436
	H 3.37230502 -2.52184320 -0.57010231
	H 2.86140665 -0.33912883 -1.58366812
	H 4.53415556 -0.44378912 -1.04849449
	H 3.64437220 0.76680691 1.14263174
	H 3.91419743 1.69260509 -0.35011183
	38
	-53.2492846173000 0.176155343399472 !mtd2
	C 1.87873870 1.35992810 0.04134001
	O 1.24208860 1.67122698 1.03252972
	O 1.38728584 1.40246106 -1.17173341
	H 0.40808549 1.62823202 -1.18337637
	C 3.31641521 0.90788955 0.09001815
	C 3.53061220 -0.45059708 -0.59376758
	C 3.19691904 -1.65188391 0.29408553
	C 1.75924820 -1.70955471 0.81240421
	C 0.70892456 -1.85818267 -0.28676502
	C -0.70855202 -1.85840198 0.28678750
	C -1.75861423 -1.70910548 -0.81255102
	C -3.19649328 -1.65213735 -0.29478332
	C -3.53090186 -0.45113593 0.59317103
	C -3.31661686 0.90753274 -0.09020975
	C -1.87900520 1.35977739 -0.04097463
	O -1.24242855 1.67242671 -1.03179307
	O -1.38757220 1.40108944 1.17215273
	H -0.40837087 1.62688662 1.18394360
	H -3.64161954 0.87705228 -1.13053897
	H -3.90045754 1.66362081 0.43954437
	H -2.94398830 -0.48155850 1.51125781
	H -4.58317404 -0.52945647 0.87462008
	H -3.86941628 -1.64396117 -1.15625453
	H -3.40449728 -2.56112979 0.27527840
	H -1.67486432 -2.55974253 -1.49410029
	H -1.54790531 -0.81145475 -1.39543227
	H -0.79659432 -1.03507072 0.99670658
	H -0.88404017 -2.78484890 0.83885909
	H 0.79685692 -1.03445740 -0.99625038
	H 0.88433142 -2.78431928 -0.83937147
	H 1.67603061 -2.56078737 1.49328469
	H 1.54851599 -0.81243006 1.39608069
	H 3.87018451 -1.64365441 1.15528536
	H 3.40498210 -2.56069131 -0.27625190
	H 2.94331444 -0.48091785 -1.51161130
	H 4.58276484 -0.52867524 -0.87572134
	H 3.64173694 0.87709916 1.13023612
	H 3.90002928 1.66416788 -0.43970284
	38
	-53.2484634975000 7.388142935286938E-002 !md4
	C 1.58650167 1.56131417 -0.16615715
	O 0.99496292 2.07983561 0.76409922
	O 0.99966988 1.20095240 -1.28164303
	H 0.01225556 1.36906588 -1.25826150
	C 3.07580050 1.32515344 -0.15508388
	C 3.48561192 -0.09965269 -0.54759238
	C 3.29546432 -1.12260813 0.57457412
	C 1.83969783 -1.48717513 0.86983670
	C 1.22017527 -2.37381942 -0.20984928
	C -0.24865563 -2.71461470 0.05339575
	C -1.15803772 -1.50597091 -0.15342142
	C -2.64421759 -1.83447604 -0.03153895
	C -3.54553377 -0.69529679 -0.51336473
	C -3.44893738 0.57240975 0.34275659
	C -2.12916861 1.27619667 0.14941632
	O -1.62577102 1.46651555 -0.94234436
	O -1.57577291 1.66101417 1.27563458
	H -0.64665070 2.01086503 1.13927973
	H -4.23631771 1.26677644 0.03989816
	H -3.57228632 0.34676466 1.40208934
	H -4.58196326 -1.03815720 -0.50370550
	H -3.28296847 -0.43766032 -1.54132644
	H -2.86309948 -2.71809267 -0.63627888
	H -2.88303663 -2.07825019 1.00637212
	H -0.96814883 -1.09315951 -1.14689030
	H -0.90046167 -0.74855362 0.58618550
	H -0.36254397 -3.09496153 1.07108726
	H -0.55320406 -3.50832979 -0.63330323
	H 1.29167758 -1.87928195 -1.18025383
	H 1.79593857 -3.30115287 -0.26751866
	H 1.79990757 -2.02076940 1.82277709
	H 1.25968579 -0.57278212 0.98839419
	H 3.75309544 -0.72700068 1.48464828
	H 3.83548159 -2.03410580 0.30632864
	H 2.92672023 -0.39851454 -1.43409432
	H 4.54465425 -0.08036261 -0.81334299
	H 3.45598982 1.57985819 0.83510270
	H 3.49983917 2.02448038 -0.88029983
	38
	-53.2483711576000 6.700370365214268E-002 !gc
	C 2.17093210 1.25669620 0.16168047
	O 1.53139664 1.63312956 1.12895202
	O 1.78199498 1.44931837 -1.07428731
	H 0.84084625 1.78912885 -1.12218420
	C 3.48529991 0.52749811 0.28177603
	C 3.51329375 -0.76501014 -0.54525327
	C 2.61138736 -1.87296189 0.00397793
	C 1.13203823 -1.49488906 -0.00826137
	C 0.20221480 -2.66377573 0.30984603
	C -1.23428695 -2.19686896 0.55744061
	C -1.89401130 -1.60179762 -0.68585532
	C -3.35005112 -1.19540332 -0.45633070
	C -3.54245838 0.03755773 0.42865123
	C -3.03821775 1.33609284 -0.21391786
	C -1.55358530 1.55899626 -0.06877971
	O -0.83945620 1.88610795 -1.00000554
	O -1.11551235 1.41538426 1.15813971
	H -0.13097832 1.58743855 1.23137410
	H -3.29090162 1.37058564 -1.27444146
	H -3.51710552 2.18395899 0.28291292
	H -3.04627472 -0.10120852 1.38884736
	H -4.61149080 0.14901174 0.62172579
	H -3.81689827 -1.00084288 -1.42532045
	H -3.88202428 -2.03345202 0.00093073
	H -1.86413708 -2.34693691 -1.48496716
	H -1.33303149 -0.73361949 -1.03027743
	H -1.22620872 -1.45754677 1.36058085
	H -1.83023237 -3.04830801 0.89622872
	H 0.21994053 -3.38606609 -0.50950264
	H 0.56410023 -3.17113768 1.20759179
	H 0.95644901 -0.72360699 0.74099919
	H 0.88225253 -1.08998792 -0.99037147
	H 2.91567195 -2.12031540 1.02380206
	H 2.75697503 -2.76542438 -0.60974178
	H 3.21713485 -0.53013234 -1.56896870
	H 4.54201591 -1.13061655 -0.56732940
	H 3.66954751 0.32102776 1.33676250
	H 4.26558111 1.19765698 -0.08584965
	38
	-53.2483710707000 6.699754246739849E-002 !gc
	C 1.55431348 1.55873645 0.06942444
	O 0.83996164 1.88599536 1.00042566
	O 1.11667799 1.41543976 -1.15768982
	H 0.13226720 1.58782927 -1.23143025
	C 3.03874424 1.33480280 0.21523089
	C 3.54284100 0.03660986 -0.42811776
	C 3.34935160 -1.19690262 0.45586766
	C 1.89306625 -1.60262310 0.68498578
	C 1.23278649 -2.19564023 -0.55899669
	C -0.20348514 -2.66320123 -0.31128264
	C -1.13299861 -1.49499872 0.01020089
	C -2.61241921 -1.87260281 -0.00170768
	C -3.51387747 -0.76343749 0.54582359
	C -3.48447051 0.52779894 -0.28308855
	C -2.16992729 1.25669115 -0.16258198
	O -1.53034615 1.63356941 -1.12965968
	O -1.78151550 1.44959860 1.07350008
	H -0.84050110 1.78966377 1.12181730
	H -3.66757182 0.31988641 -1.33800219
	H -4.26496536 1.19881118 0.08255276
	H -3.21794045 -0.52735823 1.56932630
	H -4.54287055 -1.12827261 0.56796982
	H -2.91664437 -2.12127800 -1.02123534
	H -2.75845480 -2.76411908 0.61326395
	H -0.95794588 -0.72215776 -0.73755788
	H -0.88243383 -1.09212564 0.99294455
	H -0.22049621 -3.38745583 0.50634272
	H -0.56608219 -3.16843652 -1.20994116
	H 1.22405224 -1.45491037 -1.36084009
	H 1.82868861 -3.04636860 -0.89964272
	H 1.86267706 -2.34874714 1.48317082
	H 1.33276341 -0.73444648 1.03051260
	H 3.81622669 -1.00349558 1.42507723
	H 3.88080998 -2.03490953 -0.00204664
	H 3.04710821 -0.10122398 -1.38867850
	H 4.61203706 0.14775579 -0.62052396
	H 3.29082813 1.36835015 1.27593229
	H 3.51834797 2.18283334 -0.28061754
	38
	-53.2478053378000 3.681849508263550E-002 !md5
	C 2.21018820 1.22404529 0.18652317
	O 1.69508182 1.57554066 -0.85833570
	O 1.68394556 1.46063664 1.36646896
	H 0.73237164 1.76083225 1.29707848
	C 3.50948810 0.46197107 0.24443062
	C 3.45756529 -0.77213317 -0.66755212
	C 2.56032622 -1.89402667 -0.13938420
	C 1.08650294 -1.50072947 -0.06894199
	C 0.16609411 -2.66975185 0.27684922
	C -1.24996456 -2.19953298 0.61828535
	C -2.00382226 -1.64036871 -0.58722159
	C -3.41528285 -1.16370728 -0.24091337
	C -3.48106381 0.13743167 0.56159751
	C -3.00752146 1.36743360 -0.22732430
	C -1.51694602 1.57625986 -0.12696107
	O -0.93317641 1.67656393 0.93571036
	O -0.91880337 1.66345849 -1.29108768
	H 0.07666889 1.75032613 -1.20309978
	H -3.28540292 1.29085798 -1.27827811
	H -3.47258174 2.26025395 0.19715361
	H -2.88814023 0.05617972 1.47340242
	H -4.51982604 0.29722921 0.85713262
	H -3.97648519 -1.02340774 -1.16831292
	H -3.92013787 -1.94619886 0.33124569
	H -2.07883535 -2.42591576 -1.34357241
	H -1.44558522 -0.81685817 -1.02960673
	H -1.18494481 -1.43806210 1.39796684
	H -1.81636810 -3.04156370 1.02464638
	H 0.13053355 -3.37631599 -0.55541111
	H 0.57667066 -3.19642447 1.14200585
	H 0.95318253 -0.74415918 0.70327309
	H 0.79146906 -1.07105870 -1.02781230
	H 2.90341146 -2.19803018 0.85255898
	H 2.66638439 -2.75554444 -0.80344357
	H 3.10491403 -0.45713406 -1.65178162
	H 4.47252428 -1.15839995 -0.77949746
	H 3.70998817 0.18124616 1.27812013
	H 4.30302576 1.12560573 -0.10544725
	38
	-53.2478048195000 3.679830705943536E-002 !md6
	C 1.51646041 1.57539674 0.12569098
	O 0.93245189 1.67024649 -0.93730824
	O 0.91843845 1.66880604 1.28950900
	H -0.07708691 1.75447379 1.20109435
	C 3.00710199 1.36751736 0.22760605
	C 3.48269862 0.13739205 -0.55967742
	C 3.41546094 -1.16321136 0.24362266
	C 2.00329816 -1.63923011 0.58780043
	C 1.25076698 -2.19770525 -0.61884513
	C -0.16534954 -2.66876529 -0.27870415
	C -1.08629506 -1.50017056 0.06688570
	C -2.55943296 -1.89483600 0.14302780
	C -3.45607221 -0.77226871 0.67087373
	C -3.50965344 0.46019247 -0.24322095
	C -2.21099795 1.22354675 -0.18737503
	O -1.69533113 1.57664773 0.85662013
	O -1.68579338 1.45928957 -1.36803252
	H -0.73408447 1.75872497 -1.29951258
	H -3.71033449 0.17739649 -1.27630094
	H -4.30367835 1.12374155 0.10570961
	H -3.10167084 -0.45539817 1.65387257
	H -4.47070629 -1.15865329 0.78541068
	H -2.90531762 -2.20198285 -0.84697303
	H -2.66259590 -2.75458921 0.80984161
	H -0.95614171 -0.74541106 -0.70763567
	H -0.78895785 -1.06778736 1.02380423
	H -0.13015122 -3.37569314 0.55327166
	H -0.57504042 -3.19516650 -1.14444517
	H 1.18608210 -1.43559801 -1.39795075
	H 1.81793702 -3.03918214 -1.02532020
	H 2.07675788 -2.42494012 1.34413680
	H 1.44495065 -0.81541339 1.02953721
	H 3.97499331 -1.02239748 1.17196441
	H 3.92115856 -1.94620970 -0.32708226
	H 2.89151097 0.05542558 -1.47253548
	H 4.52201620 0.29725118 -0.85324669
	H 3.28377954 1.29202747 1.27896789
	H 3.47202351 2.26052442 -0.19672661
	38
	-53.2477569737000 3.498158085056877E-002 !gc
	C 1.86658103 1.45999858 0.21275273
	O 1.11171018 1.75430998 1.12338655
	O 1.54326727 1.57179248 -1.05295142
	H 0.57428508 1.79188500 -1.17090852
	C 3.27512613 0.97206525 0.44982051
	C 3.65694288 -0.25461189 -0.38801958
	C 2.96696926 -1.54589575 0.05836905
	C 1.46558585 -1.51841783 -0.20817225
	C 0.73945698 -2.79367780 0.21563863
	C -0.73122197 -2.79328173 -0.21684420
	C -1.46246215 -1.52588035 0.22127798
	C -2.96057763 -1.54974881 -0.06368844
	C -3.65588444 -0.26247739 0.38605860
	C -3.27901491 0.96804250 -0.44866179
	C -1.87101317 1.45820094 -0.21385457
	O -1.11578193 1.74700033 -1.12592910
	O -1.54856189 1.57788162 1.05143235
	H -0.57988140 1.79890177 1.16878179
	H -3.39419193 0.76517788 -1.51443700
	H -3.94566396 1.79148361 -0.18023705
	H -3.41631068 -0.06601282 1.43223602
	H -4.73609616 -0.40155181 0.30708873
	H -3.12633812 -1.69922265 -1.13337547
	H -3.41569070 -2.39236549 0.46240874
	H -1.02981852 -0.68556763 -0.31731784
	H -1.30376260 -1.36627623 1.29057530
	H -1.22669808 -3.66880098 0.20952557
	H -0.78761022 -2.87820454 -1.30471156
	H 1.23737555 -3.66243647 -0.22164952
	H 0.79682956 -2.89165030 1.30234765
	H 1.03891275 -0.68792636 0.35033649
	H 1.29470839 -1.34056544 -1.27264412
	H 3.14585556 -1.70564074 1.12443145
	H 3.41552031 -2.38333067 -0.48150792
	H 3.41613127 -0.05626336 -1.43355069
	H 4.73772707 -0.38979015 -0.30999390
	H 3.38811397 0.76634439 1.51530057
	H 3.94030219 1.79825895 0.18604447
	38
	-53.2475534844000 2.820474804036637E-002 !md7
	C 1.83863024 1.45592887 0.27430440
	O 1.33683028 1.87861684 -0.75178742
	O 1.18265081 1.33722895 1.40414161
	H 0.20811823 1.55539512 1.31074359
	C 3.28418048 1.03645731 0.37690663
	C 3.62275129 -0.16214452 -0.52333964
	C 2.98686053 -1.47511004 -0.05625078
	C 1.53013245 -1.60621388 -0.49577370
	C 0.78772638 -2.72824667 0.22707190
	C -0.69717485 -2.79611416 -0.14279485
	C -1.42041416 -1.48690469 0.16849839
	C -2.93869598 -1.57026885 0.04828553
	C -3.62473201 -0.27278554 0.48280517
	C -3.30110923 0.92556315 -0.41771533
	C -1.89921667 1.44172362 -0.20207420
	O -1.41557445 1.62725863 0.89913142
	O -1.25753507 1.68274988 -1.32228189
	H -0.29625140 1.92438104 -1.17070921
	H -3.42178652 0.67316136 -1.47134864
	H -3.98304849 1.74432897 -0.17526153
	H -3.32415966 -0.02814274 1.50350482
	H -4.70555200 -0.42597868 0.47498663
	H -3.21267303 -1.80227846 -0.98372486
	H -3.30758474 -2.38256091 0.67915345
	H -1.06558223 -0.72929658 -0.52793040
	H -1.16262460 -1.16951915 1.18185536
	H -1.16091417 -3.60985604 0.41993116
	H -0.80152102 -3.02622782 -1.20548705
	H 1.26086586 -3.68536099 -0.00522831
	H 0.87337698 -2.56950552 1.30500412
	H 1.02547651 -0.66695746 -0.28679908
	H 1.48680327 -1.77066590 -1.57478378
	H 3.04337690 -1.53170602 1.03326855
	H 3.56032597 -2.31344175 -0.45786354
	H 3.30463427 0.05880469 -1.54385405
	H 4.70888036 -0.27214311 -0.52542345
	H 3.50453938 0.80341180 1.41868752
	H 3.89078184 1.88836150 0.06219405
	38
	-53.2475533196000 2.819982982884900E-002 !md7
	C 1.90053565 1.44077161 0.20230526
	O 1.41784013 1.62657478 -0.89926812
	O 1.25825737 1.68211866 1.32215061
	H 0.29735898 1.92484780 1.17002248
	C 3.30186355 0.92352181 0.41888430
	C 3.62462455 -0.27505472 -0.48161139
	C 2.93703766 -1.57182505 -0.04736195
	C 1.41881172 -1.48692328 -0.16788744
	C 0.69424470 -2.79608097 0.14064678
	C -0.79057526 -2.72597839 -0.22910745
	C -1.53205831 -1.60564175 0.49733460
	C -2.98929696 -1.47343239 0.05966113
	C -3.62277672 -0.15860832 0.52470751
	C -3.28262919 1.03785690 -0.37782480
	C -1.83665254 1.45596152 -0.27585967
	O -1.33491790 1.88024023 0.74963271
	O -1.18029658 1.33453946 -1.40517783
	H -0.20587618 1.55302133 -1.31152362
	H -3.50344812 0.80320771 -1.41914970
	H -3.88805646 1.89113886 -0.06451635
	H -3.30391776 0.06361025 1.54470654
	H -4.70908395 -0.26681976 0.52736596
	H -3.04760258 -1.53232889 -1.02963094
	H -3.56339295 -2.31004274 0.46396010
	H -1.02746827 -0.66593164 0.29014479
	H -1.48758970 -1.77267077 1.57591157
	H -1.26451089 -3.68350753 -0.00002076
	H -0.87596962 -2.56359489 -1.30653260
	H 1.15712944 -3.60903852 -0.42387581
	H 0.79835579 -3.02863071 1.20282492
	H 1.06437675 -0.73026636 0.52977587
	H 1.16165107 -1.16753218 -1.18076614
	H 3.21056865 -1.80422731 0.98467901
	H 3.30520931 -2.38439991 -0.67827219
	H 3.32447020 -0.02999662 -1.50233046
	H 4.70529430 -0.42937403 -0.47367067
	H 3.42167790 0.67089724 1.47255946
	H 3.98471585 1.74167540 0.17692194
	38
	-53.2472743388000 2.099112858324393E-002 !mtd5
	C 1.62799339 1.57030995 -0.10956021
	O 0.90533609 1.50639146 -1.08680876
	O 1.20248191 1.90500097 1.08502186
	H 0.20469135 2.00459462 1.12246344
	C 3.10942439 1.29480575 -0.16645746
	C 3.42100042 -0.11675961 -0.68602805
	C 3.30245421 -1.20393146 0.38481485
	C 1.86922179 -1.56661815 0.77856957
	C 1.16676193 -2.42958059 -0.26895969
	C -0.29422230 -2.72859397 0.07775620
	C -1.19049872 -1.51108085 -0.13611591
	C -2.66878654 -1.79591570 0.12222729
	C -3.59209505 -0.68649532 -0.38716874
	C -3.44740162 0.64202533 0.36430196
	C -2.11098264 1.30058507 0.13289117
	O -1.44213077 1.76299516 1.04088921
	O -1.74548538 1.34439585 -1.12466882
	H -0.77788726 1.58178861 -1.22100049
	H -4.21663586 1.33332060 0.01173037
	H -3.57546444 0.50121870 1.43848667
	H -4.62740540 -1.01878442 -0.28510008
	H -3.39625014 -0.51314904 -1.44652176
	H -2.94402059 -2.72282770 -0.38749406
	H -2.83184564 -1.94759610 1.19182041
	H -1.06868342 -1.16771397 -1.16598324
	H -0.85985712 -0.71451007 0.52936625
	H -0.36433274 -3.06424069 1.11496412
	H -0.64867799 -3.54312590 -0.55886896
	H 1.19930662 -1.93198726 -1.24009275
	H 1.71202463 -3.37227047 -0.36253633
	H 1.89456508 -2.11855173 1.72144706
	H 1.30182691 -0.65442038 0.95472057
	H 3.84257960 -0.87164874 1.27466106
	H 3.80034653 -2.10539852 0.01880399
	H 2.76039249 -0.33433539 -1.52618074
	H 4.44649611 -0.11864024 -1.06067519
	H 3.53587575 1.44824079 0.82462071
	H 3.53841412 2.02466426 -0.85676456
	38
	-53.2472703170000 2.090198335928112E-002 !mtd6
	C 2.09710281 1.30819461 -0.14055829
	O 1.42141258 1.76635235 -1.04562195
	O 1.73805140 1.35283994 1.11885531
	H 0.76979076 1.58538819 1.21971660
	C 3.43577559 0.65611525 -0.37835953
	C 3.59888291 -0.66316034 0.38534962
	C 2.68470847 -1.78694437 -0.10886048
	C 1.20457261 -1.50925392 0.14532733
	C 0.31392684 -2.73059100 -0.06975903
	C -1.15031684 -2.43452179 0.26551020
	C -1.84372010 -1.56698621 -0.78427019
	C -3.28364268 -1.21362953 -0.40705024
	C -3.42192348 -0.14291975 0.67809648
	C -3.12141862 1.27965412 0.18239017
	C -1.64197573 1.56438003 0.11997408
	O -0.91425275 1.50045871 1.09342241
	O -1.22398351 1.90613370 -1.07532480
	H -0.22682934 2.00831430 -1.11768368
	H -3.55558908 1.44808089 -0.80287809
	H -3.55009956 1.99366293 0.88924905
	H -2.76626895 -0.36609346 1.52060522
	H -4.45049015 -0.16000337 1.04393813
	H -3.81063921 -0.86957402 -1.30028232
	H -3.78451282 -2.12183902 -0.06235557
	H -1.85431032 -2.11164157 -1.73167606
	H -1.27856110 -0.65084041 -0.94607672
	H -1.19149510 -1.94147400 1.23859994
	H -1.69554070 -3.37807998 0.34987502
	H 0.39228703 -3.06982912 -1.10522301
	H 0.66628702 -3.54169130 0.57237741
	H 1.07827755 -1.16437409 1.17416345
	H 0.87267551 -0.71541282 -0.52274005
	H 2.96713807 -2.70486647 0.41305281
	H 2.84877479 -1.95142265 -1.17645169
	H 4.63707644 -0.98561027 0.28117333
	H 3.40648837 -0.48143964 1.44391702
	H 4.20317258 1.35727781 -0.04158117
	H 3.55395484 0.50521801 -1.45231780
	38
	-53.2471523424000 1.844888507079411E-002 !mtd2
	C 2.00437611 1.47978770 -0.08707687
	O 1.40415458 1.91982374 0.87735716
	O 1.49199670 1.42021148 -1.29015164
	H 0.51961834 1.66829229 -1.30335826
	C 3.38598953 0.88604848 0.00712804
	C 3.26716243 -0.63031322 -0.20744845
	C 2.42280778 -1.30614214 0.87899272
	C 1.76588846 -2.59749170 0.38637765
	C 0.57491446 -2.35603543 -0.54585924
	C -0.70430519 -1.95086147 0.18726348
	C -1.82925078 -1.66131446 -0.80646256
	C -3.20613643 -1.49513652 -0.16251416
	C -3.37162179 -0.27467448 0.74373473
	C -3.18237352 1.06341980 0.01238925
	C -1.73691478 1.48761215 -0.03577737
	O -1.13665363 1.71869625 -1.07003479
	O -1.19598593 1.59714558 1.15229325
	H -0.22289725 1.84143109 1.11058031
	H -3.57261625 1.01058939 -1.00416076
	H -3.71745921 1.84409664 0.55710280
	H -2.67556230 -0.32507213 1.58129806
	H -4.38266434 -0.30100962 1.15539172
	H -3.95223644 -1.43653070 -0.95938668
	H -3.42780532 -2.38823560 0.42746911
	H -1.89010312 -2.49747656 -1.50851094
	H -1.58273757 -0.77199192 -1.38773772
	H -0.51583454 -1.07047471 0.80293855
	H -1.00860043 -2.76127519 0.85466750
	H 0.82441117 -1.58192994 -1.27418780
	H 0.37481864 -3.27348745 -1.10478792
	H 2.51728769 -3.19416491 -0.13616347
	H 1.42529475 -3.17812995 1.24637544
	H 1.64562257 -0.62371544 1.22414034
	H 3.05666378 -1.52757131 1.73996993
	H 2.81623987 -0.79676200 -1.18669491
	H 4.26660481 -1.06793334 -0.22477157
	H 3.80334809 1.10785705 0.98912686
	H 4.01631638 1.31782177 -0.77051473
	38
	-53.2469341034000 1.464449584875856E-002 !md3
	C 1.93378809 1.32189784 -0.24384186
	O 1.43811422 1.94748934 0.67714529
	O 1.28771370 1.03411507 -1.34630231
	H 0.31387261 1.27262602 -1.29174671
	C 3.35993968 0.83261252 -0.23090070
	C 3.48825196 -0.64928819 -0.60713715
	C 3.12514198 -1.61223344 0.52596536
	C 1.68153336 -1.52930386 1.02515800
	C 0.64246228 -1.91839594 -0.02468487
	C -0.78568242 -1.76489207 0.49970153
	C -1.80941798 -1.88097371 -0.62901791
	C -3.25360005 -1.59241389 -0.19597023
	C -3.73142949 -0.16096462 -0.46182485
	C -3.18888321 0.89159109 0.50626192
	C -1.78051628 1.33583411 0.19855404
	O -1.30546981 1.35788191 -0.92104166
	O -1.13083446 1.72907637 1.26908062
	H -0.17523921 1.97016515 1.07648250
	H -3.80753399 1.79185131 0.44216457
	H -3.22307579 0.54127004 1.53856955
	H -4.82111412 -0.14985671 -0.38919223
	H -3.46116961 0.12836206 -1.47899806
	H -3.91958439 -2.25782494 -0.74983984
	H -3.37349308 -1.82573185 0.86439700
	H -1.75124188 -2.89332431 -1.03564086
	H -1.53585953 -1.19387303 -1.43166499
	H -0.88182020 -0.79551805 0.98913783
	H -0.98538358 -2.52809954 1.25601306
	H 0.75567640 -1.28643493 -0.90596756
	H 0.80879782 -2.95165870 -0.33854388
	H 1.57868111 -2.19561021 1.88573130
	H 1.47899238 -0.51817812 1.38121332
	H 3.79201670 -1.42105435 1.37074690
	H 3.31923512 -2.63004370 0.17830666
	H 2.87216060 -0.84648309 -1.48422710
	H 4.52725186 -0.83883048 -0.88540819
	H 3.78400923 1.02445481 0.75540486
	H 3.90339575 1.43055326 -0.96655116
	38
	-53.2467775688000 1.240898055332031E-002 !mtd9
	C 1.90708743 1.43969444 -0.17831880
	O 1.24150526 1.69443220 -1.16722295
	O 1.45730042 1.58092392 1.04398420
	H 0.47725213 1.79323171 1.06576391
	C 3.33326523 0.95270615 -0.25909221
	C 3.60495400 -0.27057755 0.62606166
	C 2.95462406 -1.55932383 0.11649403
	C 1.43395275 -1.44824871 0.05030720
	C 0.71539808 -2.77833547 -0.17388745
	C -0.73658586 -2.56337257 -0.61162183
	C -1.54128159 -1.72626027 0.38077184
	C -2.95758559 -1.42470584 -0.11003310
	C -3.60272145 -0.27228870 0.66902759
	C -3.34361134 1.10529758 0.03716071
	C -1.87508989 1.44250592 -0.04140369
	O -1.20474503 1.75732784 0.92588529
	O -1.39786092 1.37470003 -1.25952369
	H -0.41547805 1.57458930 -1.30318031
	H -3.75308990 1.13035863 -0.97292203
	H -3.83021880 1.86774091 0.64806552
	H -3.23246090 -0.27163113 1.69572385
	H -4.68483473 -0.41115024 0.70404637
	H -2.92606434 -1.16598130 -1.17058764
	H -3.57100570 -2.32246403 -0.01071955
	H -1.02648629 -0.78231744 0.54553590
	H -1.59028966 -2.24310675 1.34202757
	H -1.22172065 -3.53309394 -0.74589261
	H -0.73790443 -2.05600974 -1.57980278
	H 1.23393473 -3.34445495 -0.95129499
	H 0.74306389 -3.37107589 0.74296009
	H 1.08432215 -1.00905285 0.98582057
	H 1.16507315 -0.78264273 -0.77061186
	H 3.22856590 -2.37159964 0.79403579
	H 3.34922906 -1.80504304 -0.87212108
	H 4.68549337 -0.41899282 0.67797585
	H 3.24545508 -0.05760939 1.63416579
	H 3.97018554 1.77589085 0.07371510
	H 3.56208851 0.73797794 -1.30380284
	38
	-53.2467479144000 1.202563132361953E-002 !mtd5
	C 1.71170970 1.50878127 0.09686015
	O 1.07003465 1.80848853 -0.89371137
	O 1.21549241 1.51606018 1.30845685
	H 0.22932613 1.70364554 1.31372974
	C 3.15750916 1.09014209 0.01871260
	C 3.31547658 -0.16091849 -0.86232758
	C 3.23936842 -1.47302138 -0.08018073
	C 1.93361969 -1.72470843 0.67524281
	C 0.71720930 -1.93432327 -0.22618880
	C -0.49605056 -2.36825147 0.59732417
	C -1.74577099 -2.65083388 -0.24128051
	C -2.44026564 -1.38875307 -0.75725508
	C -3.20927624 -0.65040200 0.34296760
	C -3.40181644 0.84098949 0.02219738
	C -2.03666956 1.47747475 0.04198733
	O -1.42088265 1.68804816 1.07072675
	O -1.55179761 1.71109398 -1.15237112
	H -0.57426672 1.93434409 -1.12644962
	H -3.85168503 0.97008292 -0.96118089
	H -4.02744835 1.30173341 0.78671335
	H -2.67048314 -0.72216464 1.28937931
	H -4.18704309 -1.11418121 0.48347790
	H -1.69203924 -0.73053970 -1.19825324
	H -3.13491180 -1.66058471 -1.55488269
	H -2.45760063 -3.22137959 0.36024696
	H -1.46094032 -3.27396305 -1.09196388
	H -0.71232624 -1.59858231 1.34081925
	H -0.23276279 -3.27869336 1.14177494
	H 0.49218486 -1.01266621 -0.76428737
	H 0.94392777 -2.70426291 -0.96816664
	H 2.06996094 -2.62465405 1.28141297
	H 1.73855205 -0.90147230 1.36331864
	H 4.06008789 -1.48972804 0.64191666
	H 3.40447417 -2.29526887 -0.78115235
	H 2.55578740 -0.13805280 -1.64509189
	H 4.29002550 -0.12271227 -1.35277412
	H 3.54287652 0.91645257 1.02257315
	H 3.70359515 1.91863068 -0.43644209
	38
	-53.2467477491000 1.202352798894810E-002 !mtd2
	C 2.03487723 1.47914175 -0.04600163
	O 1.41684701 1.68743725 -1.07388674
	O 1.55234604 1.71459450 1.14890429
	H 0.57426309 1.93613455 1.12505255
	C 3.40030653 0.84320654 -0.02792134
	C 3.20762856 -0.64918590 -0.34405695
	C 2.44068315 -1.38424203 0.75978750
	C 1.74829373 -2.64987511 0.24976132
	C 0.49987939 -2.37355238 -0.59288550
	C -0.71509403 -1.93469018 0.22547012
	C -1.92756642 -1.72295469 -0.68084297
	C -3.23668681 -1.47456293 0.06977382
	C -3.31544234 -0.16777461 0.86046690
	C -3.15938434 1.08980131 -0.01165952
	C -1.71370523 1.50836054 -0.09189037
	O -1.07024644 1.80707111 0.89787136
	O -1.21972888 1.51686889 -1.30432719
	H -0.23331142 1.70384277 -1.31160647
	H -3.54838280 0.92372048 -1.01540635
	H -3.70339660 1.91491394 0.45202332
	H -2.55653523 -0.14901982 1.64408616
	H -4.29058467 -0.13438635 1.35014561
	H -4.05388391 -1.48566699 -0.65640871
	H -3.40605432 -2.30128317 0.76446629
	H -2.06079979 -2.62107069 -1.29042840
	H -1.73013255 -0.89743675 -1.36547126
	H -0.48923809 -1.01271697 0.76269526
	H -0.94669982 -2.70265022 0.96803354
	H 0.71706351 -1.60879455 -1.34116501
	H 0.23807949 -3.28772256 -1.13174987
	H 2.46172778 -3.22336348 -0.34705706
	H 1.46247108 -3.26811573 1.10368959
	H 1.69146222 -0.72561559 1.19847646
	H 3.13628074 -1.65144984 1.55817724
	H 2.66735880 -0.72384222 -1.28940640
	H 4.18530903 -1.11312493 -0.48473232
	H 3.85261141 0.97530348 0.95394647
	H 4.02380905 1.30195243 -0.79536436
	38
	-53.2467051822000 1.149395588443842E-002 !mtd6
	C 2.01357037 1.33534190 0.16022912
	O 1.47372354 1.93929769 -0.75024393
	O 1.45443663 1.14789850 1.33185313
	H 0.49247188 1.42097371 1.33061743
	C 3.39620172 0.74594357 0.05317717
	C 3.41745526 -0.75772265 0.36468644
	C 2.78304955 -1.62022991 -0.72930561
	C 1.25454052 -1.55485050 -0.77619984
	C 0.58116191 -2.35915415 0.33941746
	C -0.81885103 -1.85193468 0.69471505
	C -1.75030949 -1.75580325 -0.51264770
	C -3.21290780 -1.51462519 -0.13551410
	C -3.49943507 -0.19196908 0.57829831
	C -3.15999621 1.04519066 -0.26215584
	C -1.71530481 1.45043057 -0.11409208
	O -1.15021530 1.49475418 0.96316712
	O -1.13423130 1.76467903 -1.24662017
	H -0.16399201 1.98427870 -1.12592559
	H -3.38048184 0.88699729 -1.31764005
	H -3.75323042 1.89227393 0.09170893
	H -2.94274616 -0.13935975 1.51471348
	H -4.56304013 -0.16744743 0.82327495
	H -3.81562749 -1.55488412 -1.04689614
	H -3.54711079 -2.32775819 0.51379307
	H -1.69670397 -2.69368886 -1.07194929
	H -1.41331134 -0.96102070 -1.17912566
	H -0.72770147 -0.87426119 1.16861607
	H -1.25769602 -2.53242784 1.42908792
	H 0.52474730 -3.40807757 0.03811658
	H 1.19214292 -2.31298348 1.24302077
	H 0.94092469 -0.51515707 -0.71647787
	H 0.91793255 -1.93241850 -1.74352060
	H 3.08338498 -2.65929588 -0.57396907
	H 3.18265030 -1.30439667 -1.69588891
	H 4.46084394 -1.05809352 0.48081200
	H 2.91355019 -0.92471470 1.31720868
	H 4.02543191 1.26295448 0.78087935
	H 3.78005567 0.94028860 -0.94890414
	38
	-53.2466195253000 1.049794613896325E-002 !mtd1
	C 2.04609091 1.35008364 0.17923826
	O 1.59062011 1.77724928 -0.86606747
	O 1.39984420 1.38250420 1.31895183
	H 0.46469916 1.73162862 1.22124668
	C 3.40722675 0.71465714 0.28193374
	C 3.43083961 -0.64949417 -0.42533136
	C 2.50159926 -1.68727744 0.21570566
	C 1.09875380 -1.71090812 -0.39214990
	C 0.19528443 -2.70580135 0.33459308
	C -1.14968500 -2.94187475 -0.35675624
	C -2.02065986 -1.69536082 -0.53026862
	C -2.35073297 -1.01137216 0.79505405
	C -3.40306090 0.09419827 0.67349374
	C -3.06689216 1.15733401 -0.38155133
	C -1.64179548 1.63103268 -0.24991405
	O -1.13525801 1.96158191 0.80580289
	O -0.99420868 1.62459577 -1.39024468
	H -0.02003172 1.84084980 -1.28185997
	H -3.20497970 0.77153759 -1.39095704
	H -3.72686922 2.01680462 -0.24551830
	H -3.49817850 0.58091655 1.64571850
	H -4.36991028 -0.34322207 0.41704324
	H -2.72397745 -1.75973893 1.49864719
	H -1.44345685 -0.58455377 1.22395553
	H -2.95266482 -1.99752366 -1.01560720
	H -1.51524473 -0.99615333 -1.19668860
	H -1.70602891 -3.68215648 0.22424093
	H -0.96491323 -3.37143543 -1.34468478
	H 0.71329238 -3.66674400 0.39698996
	H 0.02948733 -2.36149221 1.35685247
	H 0.65885010 -0.71606900 -0.34092915
	H 1.16920786 -1.98681016 -1.44711685
	H 2.42653161 -1.49335383 1.28802954
	H 2.94182531 -2.67983601 0.09434170
	H 3.15977725 -0.51004172 -1.47342237
	H 4.45905415 -1.01418115 -0.39116672
	H 3.66434459 0.59941640 1.33467330
	H 4.12885457 1.37486046 -0.20203379
	38
	-53.2466194541000 1.049715521705404E-002 !mtd6
	C 1.64199724 1.63072834 0.24852627
	O 1.13519365 1.95584972 -0.80873738
	O 0.99467122 1.63048144 1.38907547
	H 0.02049613 1.84602054 1.27962699
	C 3.06698303 1.15739061 0.38224129
	C 3.40526719 0.09357422 -0.67140333
	C 2.35336397 -1.01227982 -0.79407581
	C 2.02031011 -1.69465798 0.53133163
	C 1.14910392 -2.94092223 0.35732539
	C -0.19571477 -2.70445475 -0.33417325
	C -1.09974722 -1.71082724 0.39361737
	C -2.50233566 -1.68657317 -0.21479470
	C -3.43157372 -0.64899395 0.42661960
	C -3.40829223 0.71521717 -0.28057808
	C -2.04651816 1.34958857 -0.18015859
	O -1.59039173 1.77983767 0.86357025
	O -1.40035857 1.37738013 -1.32007405
	H -0.46474059 1.72560402 -1.22348484
	H -3.66708379 0.60003171 -1.33290666
	H -4.12873348 1.37584135 0.20454871
	H -3.16027766 -0.50966273 1.47467040
	H -4.45979286 -1.01372324 0.39271115
	H -2.42682162 -1.49186644 -1.28693489
	H -2.94277665 -2.67914372 -0.09432588
	H -0.66006649 -0.71580314 0.34417100
	H -1.17065703 -1.98834089 1.44814084
	H -0.71340055 -3.66548167 -0.39795591
	H -0.02972802 -2.35874584 -1.35591912
	H 1.70544374 -3.68111142 -0.22378026
	H 0.96404255 -3.37075292 1.34507345
	H 2.95118721 -1.99668209 1.01892136
	H 1.51383270 -0.99451578 1.19596574
	H 2.72833603 -1.76149745 -1.49583981
	H 1.44704961 -0.58611044 -1.22560942
	H 3.50209678 0.57955094 -1.64382023
	H 4.37173264 -0.34345096 -0.41283199
	H 3.20388137 0.77259247 1.39218968
	H 3.72676937 2.01710493 0.24664343
	38
	-53.2465928298000 1.020553879298841E-002 !gc
	C 1.96159832 1.31463197 -0.16448748
	O 1.23270330 1.26682393 -1.13886649
	O 1.58831036 1.80056912 0.99354072
	H 0.60381316 1.99381640 1.02208805
	C 3.38534063 0.81876419 -0.18965332
	C 3.46642394 -0.61354423 -0.73540161
	C 3.14350239 -1.68955603 0.30418777
	C 1.74005792 -1.62509418 0.90983086
	C 0.62002441 -1.87308633 -0.09845814
	C -0.76165166 -1.73043675 0.53910008
	C -1.87485134 -1.92246221 -0.49067486
	C -3.27515118 -1.56887139 0.03202899
	C -3.78364691 -0.18060620 -0.37279507
	C -3.21519953 0.98428434 0.43956989
	C -1.78588029 1.35586434 0.13262665
	O -1.05843855 1.84885117 0.97863967
	O -1.41350392 1.15239778 -1.10385127
	H -0.43027451 1.31039955 -1.22625532
	H -3.80667915 1.88201690 0.23379417
	H -3.28537781 0.78699009 1.51101705
	H -4.86791125 -0.16711121 -0.23825341
	H -3.57850089 -0.01324783 -1.43086012
	H -3.98634442 -2.29612187 -0.36576331
	H -3.29564292 -1.66103764 1.12016577
	H -1.86267221 -2.96718508 -0.80983231
	H -1.65790994 -1.31541621 -1.37083973
	H -0.84274921 -0.74409022 0.99793086
	H -0.87487803 -2.46698752 1.33879264
	H 0.69736507 -1.16067581 -0.92080594
	H 0.72497639 -2.87584698 -0.52004305
	H 1.67498664 -2.38081975 1.69729671
	H 1.59193779 -0.65640699 1.38828133
	H 3.87128599 -1.61480290 1.11652229
	H 3.27818938 -2.66594804 -0.16808325
	H 2.79478940 -0.69741510 -1.59071937
	H 4.48212711 -0.78991991 -1.09518370
	H 3.80563346 0.88557385 0.81347657
	H 3.94433389 1.48242796 -0.85327100
	38
	-53.2465922353000 1.019912053990178E-002 !mtd11
	C 1.78952397 1.35490519 -0.13113621
	O 1.06277159 1.84557420 -0.97900151
	O 1.41549135 1.15274228 1.10509012
	H 0.43208558 1.31060376 1.22596124
	C 3.21944054 0.98351294 -0.43527803
	C 3.78414547 -0.18572454 0.37355581
	C 3.27135614 -1.57106069 -0.03583532
	C 1.87141514 -1.92307586 0.48899729
	C 0.75723432 -1.73173274 -0.53992333
	C -0.62361323 -1.87167609 0.10000034
	C -1.74502636 -1.62626291 -0.90737906
	C -3.14757673 -1.68747194 -0.29931268
	C -3.46770986 -0.60774235 0.73728814
	C -3.38377181 0.82269730 0.18715005
	C -1.95920479 1.31617662 0.16165739
	O -1.23105578 1.26959179 1.13665559
	O -1.58428206 1.79854404 -0.99732711
	H -0.59958765 1.99058159 -1.02542279
	H -3.80310726 0.88705403 -0.81651546
	H -3.94220052 1.48942339 0.84812588
	H -2.79578983 -0.69043765 1.59249038
	H -4.48356709 -0.78094264 1.09814819
	H -3.87654634 -1.61452812 -1.11073833
	H -3.28260916 -2.66219270 0.17627282
	H -1.68180275 -2.38479007 -1.69230718
	H -1.59693588 -0.65934614 -1.38944399
	H -0.69937053 -1.15674594 0.92028439
	H -0.72850600 -2.87306420 0.52485321
	H 0.83872374 -0.74632895 -1.00078830
	H 0.86847791 -2.46998202 -1.33832410
	H 1.85901606 -2.96731597 0.80967098
	H 1.65568049 -1.31476021 1.36858609
	H 3.98156700 -2.30180973 0.35719115
	H 3.28907770 -1.65873569 -1.12438869
	H 4.86843199 -0.17498068 0.23904662
	H 3.57949989 -0.02102805 1.43214449
	H 3.81112669 1.87960618 -0.22310463
	H 3.29295570 0.79100264 -1.50734523
	38
	-53.2463937450000 8.266904080033140E-003 !gc
	C 1.88051486 1.45365343 -0.02211958
	O 1.25226332 1.65499081 -1.04492102
	O 1.35835578 1.56012180 1.17703369
	H 0.36917566 1.71909519 1.14367212
	C 3.34308472 1.08530753 -0.02593547
	C 3.62305994 -0.31603202 0.53888880
	C 2.93512390 -1.43958518 -0.24665327
	C 1.53594580 -1.73616775 0.29115872
	C 0.69801744 -2.59842927 -0.65050205
	C -0.73847824 -2.79109627 -0.15316291
	C -1.43963810 -1.45043390 0.06303851
	C -2.95407336 -1.54870771 0.22431694
	C -3.56166814 -0.24065169 0.73783494
	C -3.33628819 0.95359466 -0.19848544
	C -1.90654114 1.43737365 -0.16460091
	O -1.29678547 1.65346814 0.86639427
	O -1.38760496 1.60844448 -1.35768018
	H -0.40251682 1.78914147 -1.31892174
	H -3.59594374 0.70323494 -1.22702621
	H -3.96600962 1.78350413 0.13083296
	H -3.12979045 0.00113579 1.71117597
	H -4.63664844 -0.37789388 0.86948872
	H -3.41183461 -1.81803839 -0.73031860
	H -3.19024337 -2.33974012 0.94010402
	H -1.21425871 -0.81583592 -0.79486042
	H -1.03692302 -0.97884368 0.96043252
	H -0.73420286 -3.35845454 0.78003414
	H -1.29039437 -3.37419901 -0.89417817
	H 0.66770679 -2.11884664 -1.63220339
	H 1.17327399 -3.57444599 -0.77356113
	H 1.61641385 -2.22751850 1.26356364
	H 1.02190270 -0.79093432 0.44343770
	H 3.54087307 -2.34645838 -0.19234220
	H 2.86719277 -1.15363328 -1.29847655
	H 4.70468779 -0.46132377 0.51360234
	H 3.30474838 -0.35242260 1.58196213
	H 3.86940242 1.82036011 0.58624462
	H 3.70229382 1.15204556 -1.05374741
	38
	-53.2463907028000 8.240333720014849E-003 !mtd5
	C 1.90579971 1.43819871 0.15896825
	O 1.29313982 1.65194544 -0.87072266
	O 1.39043151 1.61283538 1.35307403
	H 0.40585781 1.79625187 1.31662763
	C 3.33589535 0.95521772 0.19064653
	C 3.55975242 -0.24417175 -0.73942153
	C 2.95466873 -1.54994862 -0.21714171
	C 1.44052086 -1.45195108 -0.05224481
	C 0.73932396 -2.79365359 0.15726723
	C -0.70019424 -2.60446134 0.64751121
	C -1.52731664 -1.72428120 -0.28700232
	C -2.93886901 -1.45103177 0.22971302
	C -3.62096489 -0.31596388 -0.54392899
	C -3.34112857 1.07765784 0.03938168
	C -1.88109436 1.45560835 0.02764952
	O -1.24990049 1.66561866 1.04691596
	O -1.36461270 1.56194209 -1.17425280
	H -0.37599367 1.72338387 -1.14533005
	H -3.87635091 1.81947329 -0.55695664
	H -3.69166013 1.12841226 1.07113686
	H -4.70290984 -0.46014565 -0.52428117
	H -3.29862886 -0.33971454 -1.58613159
	H -3.53623158 -2.36099248 0.14211686
	H -2.89433283 -1.18881343 1.28903673
	H -1.58488355 -2.19010034 -1.27356382
	H -1.01735884 -0.77184963 -0.40318992
	H -0.67639644 -2.14073807 1.63698972
	H -1.17917457 -3.58097037 0.75094721
	H 0.74009373 -3.35764524 -0.77804363
	H 1.28823313 -3.37896660 0.89874404
	H 1.21658526 -0.82092664 0.80877740
	H 1.03648576 -0.97673091 -0.94709140
	H 3.41552252 -1.81433420 0.73736478
	H 3.18926707 -2.34430040 -0.92978677
	H 3.12529367 -0.00835392 -1.71308795
	H 4.63455550 -0.38110652 -0.87295434
	H 3.59912715 0.71104965 1.21978455
	H 3.96383122 1.78372421 -0.14569418
	38
	-53.2461179605000 6.174490371583491E-003 !md4
	C 1.66919909 1.42938671 0.07717711
	O 1.03984026 1.54366288 1.11420013
	O 1.12025343 1.50732145 -1.10900315
	H 0.12099680 1.62147971 -1.06890600
	C 3.16180707 1.21313517 0.03671366
	C 3.56205399 -0.04597009 -0.74705605
	C 3.51353660 -1.33358774 0.08021107
	C 2.16453439 -1.64229911 0.73075881
	C 1.03758528 -1.87616412 -0.27336202
	C -0.32295673 -1.98492591 0.41642959
	C -1.47260440 -1.79212634 -0.57111414
	C -2.84499497 -1.68756400 0.11210131
	C -3.74298571 -0.62406088 -0.53154065
	C -3.56747657 0.76799823 0.10007191
	C -2.12332241 1.20212643 0.10991590
	O -1.52837724 1.58617876 -0.88197813
	O -1.57323937 1.11842866 1.29369567
	H -0.59433238 1.35275898 1.28875501
	H -4.14456371 1.49465934 -0.47367770
	H -3.92134881 0.74994287 1.13108931
	H -4.79181763 -0.90252498 -0.41321478
	H -3.53290811 -0.56542145 -1.60069997
	H -3.34609400 -2.65589955 0.06978065
	H -2.71058710 -1.44112659 1.16725474
	H -1.47794238 -2.61426548 -1.28985740
	H -1.28315590 -0.88081607 -1.14003428
	H -0.38841714 -1.21173440 1.18579773
	H -0.41522130 -2.95131598 0.91649499
	H 1.00052865 -1.04419357 -0.97766907
	H 1.23821917 -2.78106280 -0.85126688
	H 2.27626618 -2.53343444 1.35346662
	H 1.89011957 -0.82087751 1.39394647
	H 4.26562070 -1.26579092 0.87051299
	H 3.79548980 -2.16457277 -0.57108948
	H 2.92386686 -0.13221635 -1.62669196
	H 4.58719278 0.08207917 -1.10087879
	H 3.54000068 1.17159549 1.05848506
	H 3.58731140 2.08716124 -0.46159459
	38
	-53.2461179389000 6.174349242805333E-003 !mtd2
	C 2.12628525 1.20067303 -0.10761175
	O 1.53024119 1.58364081 0.88400610
	O 1.57783299 1.11892927 -1.29230760
	H 0.59857394 1.35202806 -1.28855823
	C 3.57017853 0.76573720 -0.09646496
	C 3.74248209 -0.62882733 0.53060604
	C 2.84133929 -1.68788997 -0.11607772
	C 1.47000531 -1.79298991 0.56918479
	C 0.31849450 -1.98330017 -0.41662306
	C -1.04094276 -1.87374423 0.27512561
	C -2.16941100 -1.64269219 -0.72796630
	C -3.51725345 -1.33075498 -0.07662085
	C -3.56322671 -0.04051464 0.74672140
	C -3.15938756 1.21552635 -0.04020129
	C -1.66634960 1.42921672 -0.07956960
	O -1.03579865 1.53985068 -1.11625180
	O -1.11853877 1.50902507 1.10699019
	H -0.11892449 1.62107558 1.06781655
	H -3.53652726 1.17187018 -1.06225811
	H -3.58368805 2.09181163 0.45511004
	H -2.92611422 -0.12567476 1.62724335
	H -4.58840346 0.09092254 1.09915961
	H -4.27022944 -1.26452114 -0.86623220
	H -3.79936847 -2.15948083 0.57752677
	H -2.28276189 -2.53600700 -1.34720112
	H -1.89545851 -0.82386167 -1.39458696
	H -1.00322235 -1.04025117 0.97754262
	H -1.24015295 -2.77747458 0.85534567
	H 0.38359375 -1.20930940 -1.18517651
	H 0.40879367 -2.94921490 -0.91790289
	H 1.47614880 -2.61653251 1.28626949
	H 1.28204204 -0.88270066 1.14019063
	H 3.34066365 -2.65735332 -0.07907120
	H 2.70534914 -1.43653183 -1.16985045
	H 4.79058535 -0.90953788 0.41114078
	H 3.53279933 -0.57306631 1.59999173
	H 4.14692946 1.48971754 0.48099426
	H 3.92607623 0.75080356 -1.12683905
	38
	-53.2458086591000 4.450984030781719E-003 !md8
	C 2.14702945 1.24556563 0.31515713
	O 1.79410037 1.56527712 -0.80443718
	O 1.45501555 1.52625695 1.39613066
	H 0.54799783 1.88401127 1.17529269
	C 3.41521496 0.48001692 0.59494946
	C 3.55405607 -0.72361774 -0.34563391
	C 2.57321436 -1.85923065 -0.04423079
	C 1.11465710 -1.46230332 -0.26104085
	C 0.15341674 -2.64766176 -0.22718793
	C -1.30008877 -2.21043519 -0.43090879
	C -1.90629701 -1.54406475 0.80524761
	C -3.36497742 -1.10533647 0.59313378
	C -3.57352499 0.40978885 0.53956395
	C -2.93424183 1.08324412 -0.67865488
	C -1.48380570 1.43680390 -0.46337620
	O -1.05185445 1.88452032 0.58224367
	O -0.74210011 1.24512275 -1.52791816
	H 0.21920232 1.47223599 -1.36449143
	H -3.01868757 0.46313942 -1.57082954
	H -3.44513071 2.03025949 -0.87417920
	H -3.16837423 0.87064125 1.44260878
	H -4.64795522 0.60317010 0.51899649
	H -3.74835700 -1.54796073 -0.32899280
	H -3.97893161 -1.48804619 1.41086646
	H -1.31005306 -0.67942488 1.09404028
	H -1.85620866 -2.25504547 1.63284955
	H -1.90172960 -3.08900083 -0.67788847
	H -1.34661828 -1.52646505 -1.28082810
	H 0.42879258 -3.34852094 -1.01893978
	H 0.24630842 -3.17246700 0.72653578
	H 0.81870537 -0.75818522 0.51552467
	H 1.02118302 -0.96624840 -1.22970287
	H 2.71066506 -2.19851015 0.98528836
	H 2.81403356 -2.69785603 -0.70237701
	H 3.40322227 -0.37795519 -1.37027440
	H 4.57252339 -1.10812801 -0.26397523
	H 3.41606278 0.17000744 1.63987610
	H 4.25481565 1.15871948 0.42847898
	38
	-53.2458082633000 4.449120199821432E-003 !md7
	C 1.48451073 1.43852438 0.46157290
	O 1.05201899 1.88403767 -0.58471438
	O 0.74335105 1.24885673 1.52686867
	H -0.21811467 1.47520829 1.36316541
	C 2.93513538 1.08588590 0.67710684
	C 3.57416948 0.40850973 -0.53909885
	C 3.36485571 -1.10667759 -0.58745022
	C 1.90641464 -1.54460606 -0.80324780
	C 1.29877045 -2.21562860 0.42963747
	C -0.15523860 -2.65002522 0.22375200
	C -1.11482541 -1.46334974 0.25937376
	C -2.57420231 -1.85885662 0.04536229
	C -3.55339310 -0.72229656 0.34853381
	C -3.41578059 0.48096879 -0.59273799
	C -2.14703863 1.24630241 -0.31497639
	O -1.79288775 1.56656010 0.80411338
	O -1.45579900 1.52537973 -1.39680477
	H -0.54848832 1.88312643 -1.17725112
	H -3.41829524 0.17064840 -1.63756967
	H -4.25493835 1.15993806 -0.42514512
	H -3.39990999 -0.37635691 1.37269031
	H -4.57233905 -1.10604044 0.26941178
	H -2.71403853 -2.19808907 -0.98386069
	H -2.81449205 -2.69724976 0.70404259
	H -0.81947309 -0.75948444 -0.51767326
	H -1.01905812 -0.96751319 1.22795511
	H -0.43225228 -3.35220270 1.01380730
	H -0.24817050 -3.17268982 -0.73116256
	H 1.89901790 -3.09611178 0.67306036
	H 1.34606230 -1.53522043 1.28241667
	H 1.31040918 -0.67884124 -1.08896826
	H 1.85712747 -2.25203465 -1.63390267
	H 3.74422073 -1.54565535 0.33807157
	H 3.98166964 -1.49353683 -1.40104929
	H 3.16925565 0.86653128 -1.44365975
	H 4.64863240 0.60164683 -0.51896455
	H 3.01997847 0.46854536 1.57116071
	H 3.44591613 2.03359026 0.86951236
	38
	-53.2457178233000 4.043065645116990E-003 !gc
	C 1.91608405 1.40891635 -0.26704597
	O 1.47059712 1.75592577 0.81066724
	O 1.27812691 1.58606192 -1.39966730
	H 0.35433588 1.94926239 -1.26031443
	C 3.23501607 0.70050952 -0.43664814
	C 3.43483773 -0.37987284 0.63503676
	C 2.21050787 -1.27234116 0.85648153
	C 1.68315468 -1.93090712 -0.41686885
	C 0.55650188 -2.92713542 -0.13339752
	C -0.77107909 -2.29482503 0.29392097
	C -1.47064022 -1.53697691 -0.83672101
	C -2.96874953 -1.34363864 -0.59126090
	C -3.33258548 -0.41755787 0.57154114
	C -3.18530486 1.07357318 0.24068913
	C -1.74872332 1.52087565 0.18204718
	O -1.25536306 2.05022209 -0.79740978
	O -1.08884870 1.30408265 1.29460100
	H -0.12956692 1.58365857 1.22229720
	H -3.65995801 1.30531039 -0.71344334
	H -3.66803595 1.65679417 1.02804385
	H -2.72627331 -0.65227700 1.44618371
	H -4.37804380 -0.59348856 0.83388854
	H -3.42738940 -0.95495877 -1.50390086
	H -3.41027207 -2.32471823 -0.39749734
	H -1.35773439 -2.10932122 -1.76128320
	H -0.99574510 -0.56977595 -0.99813198
	H -0.60599417 -1.63319585 1.14464432
	H -1.43063032 -3.10005500 0.62858287
	H 0.38038565 -3.52343852 -1.03242825
	H 0.88690513 -3.61137850 0.65249079
	H 1.32439496 -1.17406673 -1.11462590
	H 2.50465397 -2.46534114 -0.90145659
	H 1.42145853 -0.67867139 1.31851166
	H 2.48723961 -2.05337294 1.56927548
	H 4.28913365 -0.99310581 0.34179974
	H 3.67509712 0.10412291 1.58321492
	H 4.03376420 1.44096208 -0.35333231
	H 3.26614717 0.27749527 -1.44030828
	38
	-53.2456217746000 3.652328788521418E-003 !gc
	C 1.73638085 1.77049481 -0.02493755
	O 1.05548897 2.18336067 0.89563888
	O 1.30539437 1.68605280 -1.25985897
	H 0.32547374 1.87927892 -1.33083465
	C 3.13984491 1.25033321 0.15326367
	C 3.13599580 -0.26236155 -0.11238267
	C 2.21699435 -1.00367649 0.85967589
	C 1.99462455 -2.46637156 0.46925517
	C 1.08685082 -2.67258129 -0.75078279
	C -0.40147429 -2.84204936 -0.43107931
	C -1.10373768 -1.56421258 0.02717487
	C -2.62132259 -1.74127585 0.05799259
	C -3.37289105 -0.54531740 0.64431503
	C -3.29748058 0.71673053 -0.22326140
	C -1.95228019 1.39441011 -0.15974472
	O -1.34213593 1.74997738 -1.15239290
	O -1.51598014 1.58455175 1.06120465
	H -0.58975667 1.96481657 1.07668231
	H -3.52111393 0.48872030 -1.26612044
	H -4.03184115 1.43969423 0.14014425
	H -2.98216794 -0.31510605 1.63665917
	H -4.42472626 -0.81836064 0.75187376
	H -2.98283726 -1.93263679 -0.95535503
	H -2.85759194 -2.62082886 0.66234995
	H -0.84597594 -0.76025229 -0.66377264
	H -0.76171104 -1.28760105 1.02588425
	H -0.52291356 -3.61663375 0.32997401
	H -0.89934920 -3.19591174 -1.33814611
	H 1.20423774 -1.84169475 -1.44809279
	H 1.41261674 -3.57719958 -1.26969908
	H 2.97075233 -2.91378276 0.26644973
	H 1.56525604 -2.99937158 1.32009476
	H 1.25642429 -0.49330509 0.91080290
	H 2.65836846 -0.96498063 1.85847078
	H 2.80670424 -0.42821403 -1.13892674
	H 4.15434150 -0.64456429 -0.02039647
	H 3.46918965 1.46455987 1.16989556
	H 3.79831672 1.74624281 -0.56029262
	38
	-53.2453080698000 2.620602327352934E-003 !mtd9
	C 1.76172235 1.76153200 -0.15415340
	O 1.08439691 1.89549951 -1.15768420
	O 1.30507094 1.95958565 1.05656751
	H 0.31012108 2.08838943 1.07259302
	C 3.19092396 1.28121307 -0.18323807
	C 3.23220188 -0.11172589 0.46321126
	C 2.36627253 -1.12169994 -0.29818247
	C 1.85677209 -2.23328077 0.61576555
	C 0.92943822 -3.22500421 -0.08865355
	C -0.33812233 -2.61314974 -0.69273473
	C -1.17737881 -1.81416405 0.30423540
	C -2.57166343 -1.51497405 -0.24957689
	C -3.37060580 -0.54968549 0.63802095
	C -3.38111882 0.89264020 0.10475430
	C -1.97742118 1.42632845 -0.01515540
	O -1.34137428 1.84966583 0.93281306
	O -1.50974356 1.37334521 -1.23730802
	H -0.55145733 1.66496222 -1.29805419
	H -3.84967010 0.91955315 -0.87891535
	H -3.93648417 1.52594435 0.79766722
	H -2.95686830 -0.55067979 1.64806966
	H -4.40915248 -0.87775777 0.70504652
	H -2.47587509 -1.09244844 -1.25179632
	H -3.11444354 -2.45770268 -0.34507946
	H -0.67360420 -0.87652578 0.54279021
	H -1.27695750 -2.38150714 1.23302995
	H -0.94732940 -3.43111707 -1.08646704
	H -0.07734861 -1.97268065 -1.53715572
	H 1.48318677 -3.72570773 -0.88667515
	H 0.63640703 -3.98848639 0.63654487
	H 2.70986410 -2.78335361 1.02110723
	H 1.32803623 -1.78533256 1.45940377
	H 2.93404938 -1.55311813 -1.12488145
	H 1.51030817 -0.60407802 -0.73044709
	H 4.26554664 -0.45792923 0.51027211
	H 2.86422190 -0.01800682 1.48697432
	H 3.81393393 1.97028289 0.38735956
	H 3.53281673 1.24293456 -1.21728470
	38
	-53.2453076465000 2.619428733656221E-003 !mtd10
	C 1.97554681 1.42789392 0.01620673
	O 1.33949308 1.85160989 -0.93162214
	O 1.50763337 1.37331852 1.23820963
	H 0.54917587 1.66423171 1.29937556
	C 3.37955447 0.89496519 -0.10388772
	C 3.37034407 -0.54648421 -0.63955376
	C 2.57319670 -1.51396484 0.24723716
	C 1.17868876 -1.81430447 -0.30535595
	C 0.34100054 -2.61350271 0.69277129
	C -0.92672414 -3.22662440 0.09033112
	C -1.85523335 -2.23639735 -0.61473265
	C -2.36314094 -1.12289520 0.29773054
	C -3.22987502 -0.11442898 -0.46465804
	C -3.19186788 1.27846227 0.18205179
	C -1.76348117 1.76135121 0.15422256
	O -1.08673304 1.89496681 1.15815592
	O -1.30693431 1.96178069 -1.05615631
	H -0.31216932 2.09124180 -1.07211753
	H -3.81562131 1.96648566 -0.38897089
	H -3.53458834 1.23932311 1.21578111
	H -4.26254087 -0.46251971 -0.51299943
	H -2.86079152 -0.01999409 -1.48796629
	H -2.93003516 -1.55243290 1.12604232
	H -1.50652744 -0.60445345 0.72777004
	H -2.70893704 -2.78740250 -1.01755679
	H -1.32781029 -1.79026125 -1.46015299
	H -1.47957916 -3.72660904 0.88942073
	H -0.63390063 -3.99086457 -0.63413976
	H 0.95127476 -3.43074654 1.08639236
	H 0.08055210 -1.97273631 1.53706621
	H 0.67408338 -0.87713547 -0.54390085
	H 1.27794767 -2.38186384 -1.23400829
	H 2.47780481 -1.09285919 1.25005939
	H 3.11723794 -2.45611465 0.34104558
	H 2.95580200 -0.54630427 -1.64925633
	H 4.40921462 -0.87328305 -0.70787122
	H 3.84769433 0.92054731 0.88000310
	H 3.93483093 1.52974241 -0.79550067
	38
	-53.2453040780000 2.609555982230765E-003 !mtd3
	C 1.56143235 1.70472095 0.26916238
	O 0.99891990 2.04380043 -0.75437955
	O 0.97896590 1.69357127 1.44466205
	H 0.00770688 1.92663631 1.38592808
	C 3.00454186 1.26771193 0.30102313
	C 3.29948106 0.24265029 -0.80101858
	C 2.94445117 -1.19295359 -0.41213024
	C 1.47003834 -1.40369940 -0.06517816
	C 1.14596415 -2.89397897 0.04971895
	C -0.22377255 -3.21469489 0.65398553
	C -1.41686990 -2.69566329 -0.16070215
	C -1.93856182 -1.35841499 0.36121892
	C -2.99872381 -0.74259864 -0.55122660
	C -3.38124256 0.67322961 -0.09244608
	C -2.12226768 1.50113042 -0.04629391
	O -1.62786005 1.91067710 0.98735547
	O -1.58041596 1.68230694 -1.22688668
	H -0.64719396 2.03120654 -1.15502879
	H -4.08104255 1.11478789 -0.80202126
	H -3.82711553 0.65268401 0.90175095
	H -3.89110616 -1.37071962 -0.56458174
	H -2.60974442 -0.68375362 -1.56965138
	H -2.35625387 -1.49681391 1.36108763
	H -1.10125173 -0.66745253 0.45315257
	H -2.22981754 -3.42427708 -0.12661407
	H -1.12190926 -2.58857521 -1.20651806
	H -0.27491818 -2.80692894 1.66575923
	H -0.29474059 -4.30142798 0.73901618
	H 1.21381831 -3.34999895 -0.94116577
	H 1.90752879 -3.36472598 0.67752976
	H 1.24688481 -0.91508718 0.88501355
	H 0.85177667 -0.94984888 -0.84193731
	H 3.55831710 -1.49711619 0.43947669
	H 3.20459265 -1.84281118 -1.25155060
	H 2.74357675 0.53252371 -1.69514381
	H 4.36351517 0.27916353 -1.04178597
	H 3.23993354 0.87383025 1.28920473
	H 3.60678816 2.16289427 0.12843404
	38
	-53.2453029326000 2.606394969328959E-003 !mtd9
	C 2.12014795 1.50336975 0.04624448
	O 1.62367442 1.91753389 -0.98462332
	O 1.57876993 1.67602389 1.22829255
	H 0.64428472 2.02235476 1.15943266
	C 3.38180889 0.67915398 0.08643965
	C 3.00573769 -0.73817354 0.54559779
	C 1.94444279 -1.35713811 -0.36358911
	C 1.42019099 -2.69035636 0.16596235
	C 0.23042407 -3.21475822 -0.65028688
	C -1.14169024 -2.89505959 -0.05100112
	C -1.46871860 -1.40513275 0.06097228
	C -2.94489748 -1.19753346 0.40269486
	C -3.30411055 0.23551728 0.79696257
	C -3.00809973 1.26636265 -0.29928045
	C -1.56503450 1.70320279 -0.26442486
	O -1.00211958 2.03448819 0.76151081
	O -0.98311269 1.70063423 -1.44019068
	H -0.01178827 1.93347945 -1.38033161
	H -3.24302362 0.87804902 -1.28979125
	H -3.61025589 2.16073887 -0.12213971
	H -2.75165201 0.52222826 1.69423452
	H -4.36903281 0.26872405 1.03438968
	H -3.55476578 -1.49871228 -0.45284175
	H -3.20765193 -1.85160152 1.23803753
	H -1.24329920 -0.91682849 -0.88886544
	H -0.85392461 -0.94931206 0.83932830
	H -1.21220508 -3.34973992 0.94032215
	H -1.90031193 -3.36796992 -0.68073509
	H 0.28347848 -2.81027460 -1.66327203
	H 0.30382369 -4.30161069 -0.73158315
	H 2.23305684 -3.41942701 0.14091458
	H 1.12084148 -2.57516968 1.20966249
	H 2.36208614 -1.50207297 -1.36259667
	H 1.10808832 -0.66542667 -0.45971409
	H 3.90029852 -1.36330124 0.55584048
	H 2.62003471 -0.68078448 1.56534087
	H 4.08323371 1.12233186 0.79342044
	H 3.82368662 0.66109984 -0.90959418
	38
	-53.2452863957000 2.561181733090138E-003 !gc
	C 2.10965467 1.30237856 0.11723018
	O 1.42237378 1.45172364 1.11178098
	O 1.74823121 1.70065553 -1.07965772
	H 0.78351889 1.96476436 -1.11716498
	C 3.45562345 0.62770630 0.15413783
	C 3.31479195 -0.85623028 0.53519678
	C 2.70132090 -1.71577133 -0.57369051
	C 1.17827033 -1.60105203 -0.67958181
	C 0.43172907 -2.45498115 0.34864802
	C -0.96868348 -1.92091742 0.66333122
	C -1.81858083 -1.68945235 -0.58564523
	C -3.28535607 -1.38361321 -0.27949810
	C -3.54026599 -0.08407239 0.48685758
	C -3.09544463 1.17641125 -0.26570938
	C -1.63115054 1.49730891 -0.09757285
	O -0.91533018 1.84356083 -1.02017476
	O -1.21288466 1.40850901 1.14131146
	H -0.22254610 1.55188984 1.21987661
	H -3.31526095 1.09884713 -1.33118508
	H -3.63813946 2.03741042 0.13366045
	H -3.04319068 -0.11376401 1.45608833
	H -4.61464776 -0.01143327 0.66908977
	H -3.83271226 -1.34204019 -1.22506348
	H -3.70327694 -2.20750255 0.30464328
	H -1.78308770 -2.58994433 -1.20453675
	H -1.39910519 -0.87338495 -1.17484240
	H -0.86860667 -0.98809647 1.21907630
	H -1.47792368 -2.63742205 1.31318244
	H 0.35981281 -3.48072525 -0.02096406
	H 0.99978143 -2.48341341 1.28110751
	H 0.88817208 -0.56162787 -0.55070009
	H 0.87010407 -1.89755919 -1.68345322
	H 2.96089729 -2.76181441 -0.39469422
	H 3.15056652 -1.42631232 -1.52624962
	H 4.31312904 -1.23473198 0.76316428
	H 2.71339091 -0.92828707 1.44295741
	H 4.06025960 1.12671805 0.91356959
	H 3.93360605 0.73115013 -0.81951273
	38
	-53.2452832355000 2.552631171423110E-003 !gc
	C 1.62982778 1.49693163 0.10286020
	O 0.91118866 1.83610224 1.02588004
	O 1.21533215 1.41739164 -1.13790266
	H 0.22467340 1.55772013 -1.21788978
	C 3.09373572 1.17515112 0.27264340
	C 3.53987741 -0.08045879 -0.48739365
	C 3.28730838 -1.38484839 0.27136026
	C 1.82157504 -1.69251285 0.58062735
	C 0.96713330 -1.91629459 -0.66659118
	C -0.43227898 -2.45122134 -0.34930838
	C -1.17567697 -1.59998468 0.68341503
	C -2.69901310 -1.71290392 0.58078143
	C -3.31363961 -0.86032858 -0.53288151
	C -3.45620250 0.62561616 -0.16069995
	C -2.11037531 1.30036181 -0.12147692
	O -1.42012363 1.44781385 -1.11422753
	O -1.75257144 1.70114777 1.07563470
	H -0.78739053 1.96327261 1.11636248
	H -4.05768490 1.12024663 -0.92553493
	H -3.93832669 0.73430443 0.81035137
	H -4.31158579 -1.24114562 -0.75865153
	H -2.71229654 -0.93693691 -1.44026590
	H -2.96032375 -2.75983841 0.40964435
	H -3.14579369 -1.41614349 1.53228172
	H -0.88485419 -0.56035629 0.55782572
	H -0.86580099 -1.90029191 1.68566607
	H -0.35931146 -3.47801252 0.01716951
	H -1.00294382 -2.47713610 -1.28021054
	H 0.86545582 -0.98041381 -1.21686409
	H 1.47344566 -2.62946678 -1.32236191
	H 1.78825763 -2.59694730 1.19385681
	H 1.40410411 -0.88025201 1.17644546
	H 3.83778816 -1.34948836 1.21535820
	H 3.70323377 -2.20493776 -0.31950817
	H 3.04229291 -0.10512127 -1.45652416
	H 4.61403315 -0.00539181 -0.66987821
	H 3.31126072 1.09068591 1.33805649
	H 3.63728209 2.03865284 -0.12008097
	38
	-53.2452847501000 2.556725660705362E-003 !mtd1
	C 1.51928468 1.72583026 -0.03075537
	O 0.80851090 1.84339406 -1.01257066
	O 1.05707000 1.66790022 1.19249799
	H 0.05127739 1.64887870 1.22220243
	C 3.01734165 1.57612674 -0.11357922
	C 3.34166422 0.12025113 -0.48740690
	C 2.98879177 -0.86322993 0.63441468
	C 2.60695789 -2.25172037 0.11466688
	C 1.25331102 -2.28535734 -0.59923559
	C 0.05519095 -2.15694643 0.34229587
	C -1.22225429 -1.86568532 -0.44182832
	C -2.45905997 -1.72278361 0.45045665
	C -3.58017176 -0.93680327 -0.24544547
	C -3.60838669 0.54806044 0.16038624
	C -2.23148453 1.15505033 0.08352046
	O -1.56135978 1.36851242 1.07797011
	O -1.82068581 1.40967304 -1.13288832
	H -0.85565469 1.68967602 -1.15581386
	H -4.27725966 1.09376431 -0.50548175
	H -3.95724345 0.64136789 1.18945952
	H -4.55277989 -1.36222595 0.00663543
	H -3.45571180 -1.01047629 -1.32687888
	H -2.81645178 -2.71723254 0.72344954
	H -2.18430314 -1.21325720 1.37630311
	H -1.39382260 -2.66229404 -1.17006789
	H -1.07101053 -0.94457813 -1.00674891
	H 0.22117536 -1.34214136 1.04946151
	H -0.06113017 -3.07600389 0.92089344
	H 1.20880101 -1.47733154 -1.33231210
	H 1.16722415 -3.22401682 -1.15148120
	H 3.38207134 -2.59516279 -0.57468781
	H 2.57922006 -2.94909019 0.95476244
	H 2.16314774 -0.46725955 1.22514124
	H 3.84297843 -0.95835426 1.30800178
	H 2.78718399 -0.12451001 -1.39459481
	H 4.40426092 0.04643848 -0.72438278
	H 3.46023738 1.82901997 0.84903304
	H 3.39570319 2.24366071 -0.88818380
	38
	-53.2452606205000 2.492269105334349E-003 !mtd3
	C 1.56701591 1.70965694 0.22991799
	O 1.05164593 1.93725315 -0.84813093
	O 0.92915609 1.80040331 1.37292433
	H -0.04093572 2.01873604 1.25216138
	C 3.01429363 1.31744955 0.38673915
	C 3.41573609 0.18059597 -0.55949127
	C 2.96705672 -1.20288539 -0.08565529
	C 1.46553553 -1.45509443 -0.22060974
	C 1.11209640 -2.88916026 0.17623829
	C -0.30042052 -3.34125314 -0.20474625
	C -1.43325190 -2.60005201 0.51780043
	C -1.97521486 -1.41984699 -0.28609319
	C -3.04063011 -0.63575641 0.48074705
	C -3.37508693 0.69756287 -0.20894107
	C -2.11361169 1.52095051 -0.19859004
	O -1.64768014 1.99717270 0.81970082
	O -1.52793906 1.60372734 -1.36885614
	H -0.58807963 1.93819980 -1.29489743
	H -3.69551557 0.53331688 -1.23666922
	H -4.15449917 1.21468674 0.35054464
	H -2.67936395 -0.41802817 1.48848821
	H -3.94961749 -1.23290223 0.57060214
	H -1.14884804 -0.75807342 -0.54089898
	H -2.40023683 -1.78416260 -1.22424358
	H -1.07366644 -2.24542693 1.48606210
	H -2.25503380 -3.29352875 0.71117171
	H -0.37183207 -4.40617346 0.02859013
	H -0.43204153 -3.23682618 -1.28384060
	H 1.81871542 -3.56492478 -0.31373208
	H 1.24643662 -3.00532375 1.25441547
	H 0.92109962 -0.75685202 0.41556974
	H 1.16822589 -1.27879818 -1.25701656
	H 3.26607386 -1.34304885 0.95605538
	H 3.49647080 -1.95131530 -0.68101957
	H 2.99965042 0.38551674 -1.54784276
	H 4.50407964 0.17862523 -0.64573470
	H 3.19588188 1.04873596 1.42732705
	H 3.60571804 2.20440578 0.14610692
	38
	-53.2452605249000 2.492016991601468E-003 !md7
	C 2.11166340 1.52279573 0.19860211
	O 1.64570585 1.99900902 -0.81968994
	O 1.52540855 1.60449418 1.36863735
	H 0.58536693 1.93855516 1.29449932
	C 3.37393813 0.70065302 0.20914841
	C 3.04099687 -0.63315848 -0.48034142
	C 1.97615408 -1.41827371 0.28620354
	C 1.43671106 -2.60002565 -0.51711301
	C 0.30348155 -3.34156840 0.20444686
	C -1.10905982 -2.88992688 -0.17699017
	C -1.46342149 -1.45626408 0.22042895
	C -2.96520812 -1.20560365 0.08599884
	C -3.41493348 0.17747739 0.55997804
	C -3.01561779 1.31486104 -0.38659666
	C -1.56885052 1.70897588 -0.23016058
	O -1.05378565 1.93778448 0.84776817
	O -0.93097365 1.79942689 -1.37317596
	H 0.03892846 2.01865205 -1.25249996
	H -3.19716945 1.04578489 -1.42708981
	H -3.60817194 2.20103512 -0.14582122
	H -2.99831796 0.38300153 1.54799518
	H -4.50315344 0.17426309 0.64706725
	H -3.26450728 -1.34610106 -0.95559788
	H -3.49366810 -1.95461112 0.68156437
	H -0.91989211 -0.75728096 -0.41577366
	H -1.16589092 -1.27993040 1.25680566
	H -1.81569624 -3.56636941 0.31217880
	H -1.24271546 -3.00563172 -1.25531460
	H 0.37524706 -4.40631007 -0.02936224
	H 0.43456528 -3.23758933 1.28364402
	H 1.07820099 -2.24695747 -1.48632055
	H 2.25957296 -3.29287554 -0.70842283
	H 1.14860028 -0.75749510 0.53969694
	H 2.40097558 -1.78115069 1.22500934
	H 2.67981136 -0.41598065 -1.48822785
	H 3.95063198 -1.22936496 -0.56981014
	H 3.69436067 0.53688361 1.23694295
	H 4.15288032 1.21856984 -0.35028433
	38
	-53.2451991257000 2.335252687593492E-003 !mtd10
	C 1.87804423 1.34235600 0.39769269
	O 1.41295695 1.92893375 -0.56215093
	O 1.20257641 1.10870634 1.49555013
	H 0.23997778 1.38835862 1.42621829
	C 3.27905282 0.78393141 0.43574421
	C 3.52680248 -0.17244790 -0.74347993
	C 2.36574146 -1.13220866 -1.01531849
	C 2.01054767 -2.04018220 0.16303207
	C 0.63106048 -2.68679124 0.00909435
	C -0.49931167 -1.67964573 0.21792748
	C -1.88037203 -2.32875478 0.25836962
	C -2.98575220 -1.30150842 0.51926108
	C -3.29596187 -0.41109409 -0.69570357
	C -3.26835636 1.09112889 -0.36268587
	C -1.84834611 1.50519500 -0.07854676
	O -1.37535351 1.55746560 1.04203561
	O -1.16335515 1.76033715 -1.16599635
	H -0.19434458 1.94964588 -0.98030344
	H -3.63142202 1.65930204 -1.21917027
	H -3.88919249 1.29313863 0.50972362
	H -4.28539283 -0.64983767 -1.08847963
	H -2.57769073 -0.59889005 -1.49547119
	H -3.89279009 -1.82816504 0.82109000
	H -2.67876162 -0.67752211 1.36056219
	H -1.89557623 -3.07237885 1.05860432
	H -2.07567379 -2.85179445 -0.68078714
	H -0.47781515 -0.93821550 -0.58211893
	H -0.33412286 -1.15699741 1.16300003
	H 0.54402195 -3.14290365 -0.97982041
	H 0.53117248 -3.48280414 0.75086820
	H 2.77099260 -2.81917942 0.25460492
	H 2.01107578 -1.46764473 1.09099638
	H 2.62439245 -1.75189118 -1.87727432
	H 1.49480221 -0.54117058 -1.29894058
	H 3.68883886 0.42097550 -1.64497375
	H 4.43836550 -0.73734512 -0.54039545
	H 3.41997368 0.28035921 1.39129013
	H 3.98464659 1.61445169 0.37273118
	38
	-53.2451163987000 2.139514251525865E-003 !mtd4
	C 1.98589376 1.41941131 0.01267198
	O 1.40579778 1.70736338 -1.01804907
	O 1.46178804 1.56559729 1.20431526
	H 0.50788128 1.87226847 1.16345489
	C 3.38085497 0.85027571 0.03163827
	C 3.37963137 -0.61789752 0.48353264
	C 2.51547849 -1.52314024 -0.40771766
	C 1.16074398 -1.85348007 0.22071919
	C 0.27151031 -2.64203625 -0.74003275
	C -0.97697362 -3.23707469 -0.08123611
	C -1.85706596 -2.23325545 0.66619634
	C -2.37161846 -1.10121796 -0.21930156
	C -3.16986243 -0.06704311 0.58047483
	C -3.17159531 1.30841843 -0.10471846
	C -1.74302758 1.79064008 -0.13692261
	O -1.12042544 2.07080189 0.87080168
	O -1.21975772 1.80849721 -1.33783787
	H -0.22548762 1.94062581 -1.31563803
	H -3.55397455 1.23934349 -1.12213280
	H -3.77588049 2.00650058 0.47522624
	H -2.72077528 0.05269391 1.56913861
	H -4.19743202 -0.40587429 0.71851962
	H -1.51876471 -0.60997165 -0.68640313
	H -2.98968981 -1.50977178 -1.02127384
	H -1.28928277 -1.80595158 1.49495179
	H -2.70706781 -2.76879637 1.09646992
	H -0.66372079 -4.00711622 0.62835744
	H -1.57307415 -3.72679448 -0.85515114
	H -0.01731618 -1.99851556 -1.57307777
	H 0.85316751 -3.46729075 -1.15947768
	H 1.32233869 -2.43996755 1.12867136
	H 0.66073775 -0.92819096 0.50857697
	H 3.04394288 -2.45936605 -0.59967485
	H 2.35470361 -1.03800746 -1.37285270
	H 4.41478547 -0.96286155 0.47121763
	H 3.02431918 -0.67039307 1.51389450
	H 3.98169608 1.43772659 0.72755026
	H 3.79971637 0.93420534 -0.97167088
	38
	-53.2451153308000 2.137097866991036E-003 !mtd8
	C 2.01660663 1.33580961 0.19565815
	O 1.49896329 1.74309547 -0.82725182
	O 1.49543288 1.50460878 1.38786957
	H 0.57013925 1.88627347 1.34600369
	C 3.32593004 0.58891087 0.20756471
	C 3.29986708 -0.59613740 -0.76706045
	C 2.53717102 -1.81083649 -0.23570861
	C 1.03121566 -1.58884383 -0.09713989
	C 0.31708241 -2.87130309 0.33097549
	C -1.12878643 -2.67943050 0.80140149
	C -2.15768729 -2.44561931 -0.31177661
	C -2.33310123 -0.98669889 -0.73837800
	C -3.07629716 -0.14557923 0.29942165
	C -3.08509659 1.34717725 -0.07070945
	C -1.66148251 1.83779331 -0.02514784
	O -1.06900660 2.05211617 1.01594160
	O -1.10827648 1.94668636 -1.20833122
	H -0.11597833 2.06860396 -1.15207845
	H -3.48624512 1.49007834 -1.07326026
	H -3.68054181 1.90004210 0.65588860
	H -2.60595678 -0.25161642 1.27853037
	H -4.10699957 -0.49554881 0.38357205
	H -1.35709094 -0.54754772 -0.93463844
	H -2.89585874 -0.95942859 -1.67476107
	H -3.12876917 -2.81898589 0.02350029
	H -1.86785400 -3.03571856 -1.18391551
	H -1.16180122 -1.85876936 1.51962862
	H -1.41775121 -3.58702322 1.33719579
	H 0.33947980 -3.59331144 -0.48854319
	H 0.87993753 -3.30564900 1.16195691
	H 0.84271319 -0.82196127 0.65480364
	H 0.63996537 -1.23928283 -1.05375123
	H 2.95045476 -2.09757005 0.73457532
	H 2.70426331 -2.64449136 -0.92258431
	H 2.85570357 -0.26209090 -1.70695841
	H 4.32977518 -0.89662741 -0.96922000
	H 3.53936729 0.25991770 1.22428137
	H 4.10109756 1.29041183 -0.10884856
	38
	-53.2448936426000 1.690221291485119E-003 !mtd5
	C 1.62843479 1.62587578 0.30557310
	O 1.04028027 2.12793847 -0.63389524
	O 1.06563204 1.38310668 1.46433005
	H 0.08173224 1.57957433 1.46209680
	C 3.06909272 1.18538928 0.24855221
	C 3.28819382 0.20379798 -0.91197713
	C 2.25091764 -0.92076935 -0.97627986
	C 2.15739835 -1.74859644 0.30539693
	C 1.21293455 -2.95224596 0.17963995
	C -0.22358766 -2.69953512 0.64549741
	C -1.00033420 -1.69316694 -0.20176525
	C -2.49215776 -1.70829376 0.13407103
	C -3.31654607 -0.71663654 -0.69535752
	C -3.42430263 0.67969054 -0.06400983
	C -2.07525075 1.33554990 0.06303313
	O -1.54647596 1.55645936 1.13734880
	O -1.52848576 1.63728486 -1.08965498
	H -0.59166085 1.97824568 -0.98741439
	H -4.04943675 1.30742049 -0.70107422
	H -3.87009467 0.61164059 0.92878899
	H -4.33293130 -1.09936738 -0.80624935
	H -2.88372293 -0.62352757 -1.69291903
	H -2.87125584 -2.71699873 -0.04730603
	H -2.62631204 -1.49441650 1.19655093
	H -0.87177835 -1.93381447 -1.26003569
	H -0.59823839 -0.69626768 -0.03056626
	H -0.20992906 -2.35815332 1.68311552
	H -0.75556336 -3.65484662 0.62242324
	H 1.19894774 -3.29675086 -0.85699431
	H 1.60906975 -3.76987184 0.78657282
	H 3.16056038 -2.10909946 0.54721437
	H 1.82354881 -1.12355239 1.13414868
	H 2.52457501 -1.58193161 -1.80272961
	H 1.27836584 -0.49186661 -1.21686607
	H 3.24567189 0.75877801 -1.85087949
	H 4.28846081 -0.22253801 -0.81415567
	H 3.32846814 0.73127903 1.20390382
	H 3.69605663 2.06555415 0.09402353
	38
	-53.2447800921000 1.498854138815434E-003 !gc
	C 1.90786888 1.32610042 0.37548109
	O 1.13670119 1.31707505 1.31794977
	O 1.60696285 1.82312986 -0.79754276
	H 0.63079042 2.03859574 -0.87270818
	C 3.29866796 0.74840888 0.46194145
	C 3.56417068 -0.27529341 -0.65439286
	C 2.39206019 -1.22273353 -0.92225827
	C 1.95470411 -2.04259375 0.29186330
	C 0.58131728 -2.68950800 0.09053961
	C -0.55294902 -1.67348162 0.21943501
	C -1.93600604 -2.31489745 0.13639845
	C -3.06082481 -1.30183360 0.36782915
	C -3.27896994 -0.33701890 -0.80979807
	C -3.24858042 1.14562029 -0.39443251
	C -1.82999969 1.52721482 -0.06309948
	O -1.04168986 1.91683072 -0.90580357
	O -1.51578462 1.36027665 1.19683194
	H -0.52970392 1.45849135 1.35387638
	H -3.58824527 1.76252036 -1.22681370
	H -3.88705070 1.30493160 0.47349377
	H -4.24602618 -0.53324069 -1.27509295
	H -2.51640405 -0.49478077 -1.57459509
	H -3.98701035 -1.84620534 0.56122658
	H -2.82592933 -0.73324970 1.26906276
	H -2.00660372 -3.09386077 0.89939222
	H -2.06563265 -2.79518448 -0.83642876
	H -0.45910087 -0.91987828 -0.56417050
	H -0.45859256 -1.16643006 1.18250409
	H 0.54019516 -3.17114889 -0.88928503
	H 0.44069296 -3.46555440 0.84671505
	H 2.70022136 -2.81694497 0.48692503
	H 1.90094502 -1.40462495 1.17464192
	H 2.67806308 -1.90450649 -1.72700904
	H 1.54963646 -0.63549871 -1.28828216
	H 3.77826670 0.26278477 -1.57927287
	H 4.45155631 -0.85092809 -0.38440148
	H 3.41394243 0.29847309 1.44804065
	H 4.01556857 1.56689474 0.37250756
	38
	-53.2445812358000 1.214426802355430E-003 !mtd4
	C 2.10772779 1.31324106 0.02128477
	O 1.50336462 1.44468821 -1.02840734
	O 1.58109527 1.55325610 1.19499355
	H 0.59929218 1.76429323 1.13652126
	C 3.52923284 0.82008125 0.06612308
	C 3.56154194 -0.68756536 0.37855610
	C 2.58632527 -1.50094430 -0.48524825
	C 1.27734315 -1.79102866 0.25231575
	C 0.18544256 -2.33241204 -0.66950804
	C -1.03169062 -2.84147047 0.10666824
	C -1.86857607 -1.73388452 0.75443310
	C -2.90789513 -1.13455593 -0.19458406
	C -3.61345874 0.08258582 0.42550475
	C -3.17308881 1.41571544 -0.19860161
	C -1.67328305 1.56154218 -0.15035436
	O -1.05288678 1.81677188 0.86621853
	O -1.10882153 1.36933313 -1.31467144
	H -0.10479640 1.43862937 -1.27566741
	H -3.48669036 1.46051128 -1.24165077
	H -3.62353159 2.23923044 0.35725712
	H -3.41009190 0.11298559 1.49730260
	H -4.69371716 0.00091136 0.29658457
	H -2.42807841 -0.84451688 -1.13051894
	H -3.64289948 -1.90567650 -0.43457506
	H -1.21312985 -0.94401969 1.12182167
	H -2.39393625 -2.14470454 1.62010356
	H -0.67892644 -3.52442179 0.88316586
	H -1.67223716 -3.41692644 -0.56575972
	H -0.11752772 -1.55360271 -1.37194728
	H 0.59748333 -3.15986231 -1.25243786
	H 1.47364497 -2.52000277 1.04309510
	H 0.92383520 -0.88067306 0.73609874
	H 3.04587144 -2.45025602 -0.76731736
	H 2.37384832 -0.95624058 -1.40711123
	H 4.58441723 -1.03202607 0.21897761
	H 3.32132845 -0.83761285 1.43249440
	H 4.07826058 1.36367859 0.83466621
	H 3.97953549 1.00131823 -0.91033495
	38
	-53.2445715137000 1.201996977802108E-003 !mtd2
	C 2.03573448 1.32116257 0.25379176
	O 1.35480452 1.39563119 1.26078862
	O 1.68636934 1.84721980 -0.89328875
	H 0.73521146 2.15740562 -0.88387625
	C 3.34427526 0.57531888 0.21809527
	C 3.29226654 -0.56022582 -0.81767253
	C 1.98224126 -1.35410569 -0.80404417
	C 1.63764031 -1.94957669 0.55947621
	C 0.39222049 -2.84221187 0.54864817
	C -0.95359988 -2.10836535 0.59849425
	C -1.42464898 -1.52542570 -0.73590969
	C -2.93789617 -1.30265094 -0.78974883
	C -3.47523356 -0.24486196 0.17610771
	C -3.11108288 1.19045584 -0.22039105
	C -1.67052059 1.53967181 0.05266665
	O -0.95550084 2.08910979 -0.76657497
	O -1.27414846 1.22964126 1.26276597
	H -0.29573976 1.40249653 1.38933626
	H -3.31493168 1.36800535 -1.27722100
	H -3.71548497 1.88341140 0.37044277
	H -3.11376084 -0.43996287 1.18534955
	H -4.56476377 -0.32001987 0.19057820
	H -3.21395812 -1.01824369 -1.80855700
	H -3.43542626 -2.25057357 -0.56904691
	H -1.16022303 -2.21985673 -1.53740181
	H -0.92018572 -0.58267590 -0.94501304
	H -0.89959664 -1.32142627 1.35228812
	H -1.70665245 -2.82896500 0.93002365
	H 0.41880723 -3.49504416 -0.32736331
	H 0.44248503 -3.48369657 1.43223550
	H 2.48850548 -2.55049865 0.89257105
	H 1.48977354 -1.15378681 1.29016376
	H 2.06972554 -2.16443454 -1.53243278
	H 1.17456653 -0.70577819 -1.14107221
	H 3.41794641 -0.13247255 -1.81376563
	H 4.13218385 -1.23163462 -0.62884072
	H 3.53712994 0.18495502 1.21715807
	H 4.14161429 1.27004721 -0.04980420
	38
	-53.2445382082000 1.160371965352683E-003 !gc
	C 1.40413910 1.52268338 0.16440307
	O 0.66637814 1.84507007 1.07840470
	O 0.99126587 1.36755859 -1.06864952
	H -0.00117270 1.48257930 -1.14913956
	C 2.88808230 1.33911130 0.36952171
	C 3.59245779 0.40928860 -0.62045667
	C 3.50801205 -1.08076930 -0.27793799
	C 2.11992937 -1.71100522 -0.46764232
	C 1.37229236 -1.92862519 0.84822792
	C -0.02994532 -2.51065963 0.64721071
	C -0.99657780 -1.46977040 0.08845292
	C -2.43744694 -1.96431333 -0.01519973
	C -3.34732517 -0.99695050 -0.77689462
	C -3.57563395 0.34051508 -0.05867889
	C -2.31351505 1.16444867 -0.04051135
	O -1.66152496 1.40560558 -1.03951899
	O -1.97920211 1.58328706 1.15871273
	H -1.04129963 1.92703337 1.18594116
	H -4.33898499 0.90437060 -0.59894554
	H -3.90815529 0.18477901 0.96740634
	H -4.31874062 -1.47204557 -0.92721408
	H -2.91543724 -0.79155886 -1.75850119
	H -2.44546090 -2.92262224 -0.54061457
	H -2.83988488 -2.13380993 0.98630417
	H -0.66324720 -1.15668986 -0.90237815
	H -0.95862281 -0.60742386 0.75283579
	H -0.40958661 -2.86237743 1.60959737
	H 0.02290776 -3.37112793 -0.02370699
	H 1.95535931 -2.61381552 1.46919324
	H 1.28840546 -0.98425452 1.38999472
	H 1.53163092 -1.08011155 -1.13258490
	H 2.22853536 -2.68206781 -0.95634813
	H 3.84181681 -1.23262736 0.75109440
	H 4.22061512 -1.59631753 -0.92539339
	H 3.18812796 0.57777366 -1.61919123
	H 4.64932258 0.68562689 -0.63940549
	H 3.05054104 1.01685632 1.39955321
	H 3.31078080 2.34494073 0.27703214
	38
	-53.2445214409000 1.139964980577441E-003 !mtd2
	C 2.36697545 1.24325146 0.12564770
	O 1.86967122 1.76416423 -0.85475311
	O 1.90300126 1.40441763 1.34298858
	H 0.98414584 1.79337060 1.33958305
	C 3.50815345 0.26401558 0.04091389
	C 2.92862668 -1.01758332 -0.58363455
	C 1.80093454 -1.60547215 0.26618492
	C 0.97958684 -2.64303165 -0.49319001
	C -0.21124824 -3.15798094 0.31769371
	C -1.27681666 -2.10727639 0.64678173
	C -1.90663378 -1.47366928 -0.59584628
	C -3.29191258 -0.88207331 -0.32913901
	C -3.31697661 0.36058058 0.56302644
	C -2.81420638 1.62981957 -0.13968109
	C -1.31567625 1.77656502 -0.06945411
	O -0.70017461 1.78341201 0.97970712
	O -0.74774611 1.92215204 -1.24315501
	H 0.24906592 1.98963688 -1.17787678
	H -3.12365088 1.64811053 -1.18447555
	H -3.23132996 2.50280209 0.36802701
	H -2.72467291 0.19514113 1.46370552
	H -4.35002716 0.53209857 0.87202875
	H -3.75812156 -0.63131462 -1.28555840
	H -3.90917889 -1.65244608 0.14040871
	H -2.01657302 -2.24548636 -1.36221021
	H -1.25086398 -0.70217956 -1.00031631
	H -0.85188803 -1.33323521 1.28666750
	H -2.06168361 -2.60579895 1.22192860
	H -0.68623572 -3.96657304 -0.24401029
	H 0.15790785 -3.58217416 1.25482101
	H 0.62035080 -2.20475936 -1.42610259
	H 1.61863587 -3.49039353 -0.75408418
	H 1.13208594 -0.80478400 0.57856324
	H 2.21724277 -2.05354610 1.17096102
	H 2.54250123 -0.76738832 -1.57452101
	H 3.72644421 -1.75130644 -0.70860396
	H 3.89609442 0.06924025 1.03955155
	H 4.29502648 0.66212607 -0.59924766
	38
	-53.2445168301000 1.134416496073335E-003 !mtd1
	C 1.87025573 1.48567060 0.09351434
	O 1.27654475 1.85704338 -0.90276104
	O 1.30273479 1.35642894 1.26628724
	H 0.31275082 1.52451747 1.23340583
	C 3.32333827 1.09125125 0.06549467
	C 3.44634987 -0.35020464 -0.46055902
	C 2.96458109 -1.40600843 0.54876171
	C 1.87249466 -2.33307799 0.00788927
	C 0.53237369 -1.62002449 -0.15818557
	C -0.61416035 -2.57931201 -0.47604829
	C -1.95387910 -1.85143205 -0.62141426
	C -2.48543952 -1.34726933 0.72119805
	C -3.63483251 -0.34227033 0.61403321
	C -3.32288595 0.88162861 -0.26352220
	C -1.90116762 1.36764775 -0.11730525
	O -1.34127865 1.53698779 0.94973455
	O -1.32390972 1.57949593 -1.27489488
	H -0.35127335 1.81661788 -1.18552012
	H -3.48780945 0.66114605 -1.31811877
	H -3.98777903 1.70097055 0.01883514
	H -3.87381266 -0.00439524 1.62387901
	H -4.52103855 -0.83110413 0.20491404
	H -2.82825293 -2.20062965 1.31123456
	H -1.67876479 -0.87499440 1.28088652
	H -2.68859849 -2.52687118 -1.06611739
	H -1.81477168 -1.01795264 -1.31062888
	H -0.69155488 -3.32937404 0.31472122
	H -0.38941709 -3.10285656 -1.40832923
	H 0.31412383 -1.09267931 0.77178048
	H 0.60276821 -0.87874448 -0.95719749
	H 2.18915081 -2.76197524 -0.94558528
	H 1.74239914 -3.15817517 0.71260084
	H 2.57972097 -0.90960176 1.44162354
	H 3.81354147 -2.01705400 0.86115516
	H 2.87796678 -0.42669593 -1.38886304
	H 4.49417493 -0.52611825 -0.70788800
	H 3.74655037 1.16657515 1.06631882
	H 3.84736995 1.76622936 -0.61224292
	38
	-53.2443629189000 9.639174512530706E-004 !mtd6
	C 1.83645034 1.46439315 0.31716613
	O 1.42461920 1.88341889 -0.74900163
	O 1.11396044 1.43812661 1.41087818
	H 0.17194689 1.74798223 1.25998091
	C 3.22241319 0.90735685 0.51016282
	C 3.45311424 -0.33772912 -0.35862735
	C 2.49905436 -1.49615487 -0.03502201
	C 1.26671831 -1.51987699 -0.93967414
	C 0.34186768 -2.71143554 -0.68479451
	C -0.35607088 -2.71367539 0.67764761
	C -1.27491863 -1.51892931 0.93904539
	C -2.51172150 -1.48988732 0.04075738
	C -3.45447982 -0.32196092 0.36293737
	C -3.21549428 0.91771311 -0.51125187
	C -1.82767824 1.47006617 -0.31770740
	O -1.41443819 1.88594909 0.74914267
	O -1.10532330 1.44333779 -1.41151000
	H -0.16231140 1.75002703 -1.26027009
	H -3.34836309 0.67452856 -1.56549274
	H -3.92989316 1.69287801 -0.22702716
	H -3.34381523 -0.04052664 1.41157378
	H -4.48885205 -0.63380876 0.20759753
	H -2.21167583 -1.42984140 -1.00645336
	H -3.05038736 -2.43103724 0.17450709
	H -0.70911769 -0.59586008 0.82997893
	H -1.60634634 -1.56787603 1.97954977
	H 0.39911610 -2.74675390 1.46519240
	H -0.94508461 -3.63138543 0.75613667
	H -0.41328756 -2.73617499 -1.47273160
	H 0.92635227 -3.63156464 -0.76853954
	H 0.70384917 -0.59476353 -0.83280953
	H 1.60321217 -1.56920371 -1.97852587
	H 2.19405827 -1.42786430 1.01023486
	H 3.03056048 -2.44240224 -0.16091448
	H 3.34804784 -0.05945078 -1.40867485
	H 4.48429804 -0.65786522 -0.19897451
	H 3.35625589 0.66837667 1.56523454
	H 3.93993571 1.67763358 0.22059802
	38
	-53.2443122336000 9.135798074334613E-004 !mtd11
	C 2.04594266 1.31691478 0.30218317
	O 1.56121020 2.02523288 -0.56059447
	O 1.45910938 1.07095277 1.44826224
	H 0.50591775 1.38081908 1.46309871
	C 3.35249870 0.58301778 0.14194927
	C 3.20605986 -0.46854108 -0.97289547
	C 1.90048090 -1.26648564 -0.90174827
	C 1.71405427 -2.02969146 0.40689502
	C 0.42999601 -2.86193277 0.45822452
	C -0.87096661 -2.06299862 0.62724775
	C -1.51517774 -1.59602758 -0.68151858
	C -3.02255495 -1.36266370 -0.55638357
	C -3.43230869 -0.20547559 0.35618691
	C -3.09443733 1.17519373 -0.22031407
	C -1.65244228 1.54591911 0.01153949
	O -1.11984260 1.46811544 1.10315300
	O -1.03948345 1.97512598 -1.06560284
	H -0.06625985 2.16139853 -0.90867609
	H -3.30669680 1.22216072 -1.28832300
	H -3.69670029 1.93015051 0.29095049
	H -2.95365976 -0.30569761 1.33094570
	H -4.51246352 -0.25790535 0.50640765
	H -3.43275523 -1.18156605 -1.55348623
	H -3.48393158 -2.27742915 -0.17552237
	H -1.36099337 -2.36413916 -1.44368604
	H -1.04193599 -0.68425080 -1.04476783
	H -0.68499319 -1.20817328 1.27925280
	H -1.59159095 -2.70932969 1.13541515
	H 0.36201065 -3.48391385 -0.43765788
	H 0.51874216 -3.53630942 1.31365525
	H 2.56627227 -2.70251950 0.53799048
	H 1.70766445 -1.33563639 1.24746031
	H 1.88815550 -1.97702840 -1.73217152
	H 1.06506957 -0.58330947 -1.05119497
	H 3.23783641 0.04237736 -1.93707086
	H 4.05904067 -1.14759524 -0.91987078
	H 3.60583098 0.11318474 1.09104446
	H 4.13623575 1.28977384 -0.13261671
	38
	-53.2443119634000 9.133186301583717E-004 !gc
	C 1.64683255 1.54846459 -0.01084511
	O 1.11550387 1.46785771 -1.10284376
	O 1.03203286 1.97838828 1.06496688
	H 0.05875520 2.16342216 0.90673969
	C 3.08931728 1.18103254 0.22331053
	C 3.43291890 -0.19670849 -0.35663566
	C 3.02823200 -1.35762746 0.55343692
	C 1.52174822 -1.59540698 0.68084620
	C 0.87677066 -2.06315252 -0.62723140
	C -0.42323269 -2.86328643 -0.45663211
	C -1.70817264 -2.03241772 -0.40520490
	C -1.89435997 -1.26778478 0.90264086
	C -3.20235909 -0.47389049 0.97492634
	C -3.35425176 0.57564938 -0.14114557
	C -2.05029710 1.31354837 -0.30372870
	O -1.56790703 2.02588009 0.55705928
	O -1.46260423 1.06618330 -1.44905409
	H -0.51011028 1.37804106 -1.46443688
	H -3.60717027 0.10362772 -1.08924065
	H -4.14004436 1.28001250 0.13363169
	H -3.23405632 0.03836581 1.93839785
	H -4.05323401 -1.15577198 0.92444600
	H -1.87827075 -1.97696893 1.73416361
	H -1.06079414 -0.58175412 1.04944707
	H -2.55967666 -2.70647533 -0.53463107
	H -1.70342126 -1.33940859 -1.24664858
	H -0.35395030 -3.48451917 0.43968399
	H -0.51187279 -3.53841697 -1.31146943
	H 0.68940269 -1.20860970 -1.27919779
	H 1.59747873 -2.70896099 -1.13595812
	H 1.37105494 -2.36467451 1.44254645
	H 1.04643604 -0.68531618 1.04567034
	H 3.43986716 -1.17813260 1.55024499
	H 3.49148954 -2.27000298 0.16914086
	H 2.95436366 -0.29659557 -1.33147580
	H 4.51321962 -0.24441341 -0.50731276
	H 3.29876973 1.22546822 1.29198499
	H 3.69042060 1.93969384 -0.28384835
	38
	-53.2442983395000 9.002460109874261E-004 !mtd1
	C 1.86695319 1.46569202 -0.20059167
	O 1.11654044 1.56566274 -1.15525239
	O 1.48472410 1.62921059 1.03977927
	H 0.49038714 1.75496235 1.12037692
	C 3.31936180 1.09025381 -0.33614403
	C 3.43443527 -0.43573639 -0.49809295
	C 2.98116620 -1.21542115 0.74852079
	C 1.89513129 -2.25402446 0.45363409
	C 0.55392852 -1.61467070 0.10209316
	C -0.51834880 -2.64501987 -0.24832241
	C -1.80735576 -1.98144283 -0.73897488
	C -2.66895110 -1.41369334 0.39331233
	C -3.67506407 -0.36536955 -0.11494147
	C -3.35977758 1.04681365 0.39791238
	C -1.91159930 1.40400763 0.16942262
	O -1.15983525 1.67973092 1.08799287
	O -1.54032017 1.38018349 -1.08349557
	H -0.55268407 1.53487499 -1.18833145
	H -3.98320713 1.77398334 -0.12544872
	H -3.55403158 1.11660899 1.46899213
	H -4.68694799 -0.61869785 0.20387633
	H -3.66654744 -0.35399345 -1.20547084
	H -3.19556170 -2.23589652 0.88111267
	H -2.02616386 -0.95836683 1.14772649
	H -2.40116494 -2.70754900 -1.29904778
	H -1.53905419 -1.17850034 -1.42859544
	H -0.73091017 -3.27398798 0.61894037
	H -0.13171630 -3.29277083 -1.03889487
	H 0.22230601 -1.00689167 0.94655938
	H 0.68216090 -0.95394362 -0.75719544
	H 2.22112290 -2.89590111 -0.36867801
	H 1.76573351 -2.88808910 1.33389070
	H 2.60179981 -0.52152033 1.50057425
	H 3.84018710 -1.72648447 1.18716783
	H 2.84077939 -0.73332409 -1.36387616
	H 4.47594355 -0.66834777 -0.72471221
	H 3.86049682 1.41582296 0.55155678
	H 3.72744535 1.57763870 -1.22220099
	38
	-53.2442712639000 8.748188280562877E-004 !gc
	C 1.83917395 1.44319594 0.33836506
	O 1.41155623 1.82720854 -0.73447897
	O 1.13655924 1.48052562 1.44579711
	H 0.19312690 1.77041076 1.28153706
	C 3.22997966 0.88472544 0.51997868
	C 3.55538137 -0.16628123 -0.54956432
	C 2.95219944 -1.54474059 -0.26319025
	C 1.44790870 -1.48157501 0.00284126
	C 0.72143550 -2.79963403 -0.26715094
	C -0.71929232 -2.80101962 0.26322227
	C -1.44485216 -1.48055574 0.00241783
	C -2.94985336 -1.54626869 0.26302187
	C -3.55618076 -0.16894884 0.54812228
	C -3.23092462 0.88251769 -0.52095280
	C -1.84084540 1.44246456 -0.33820252
	O -1.41360696 1.82479948 0.73535548
	O -1.13819904 1.48219200 -1.44557325
	H -0.19489899 1.77238543 -1.28079013
	H -3.32199692 0.47379148 -1.52673935
	H -3.92581297 1.71947498 -0.41848553
	H -3.18445444 0.20021334 1.50637093
	H -4.63998972 -0.27186258 0.62550621
	H -3.45166268 -1.99913596 -0.59494930
	H -3.14043543 -2.18379870 1.12950361
	H -1.27176623 -1.17490116 -1.03060968
	H -1.01726512 -0.72668288 0.66286903
	H -0.70921169 -2.98544077 1.34002972
	H -1.26753898 -3.62125566 -0.20575584
	H 0.71104870 -2.97610830 -1.34529519
	H 1.26912271 -3.62368658 0.19571453
	H 1.27763448 -1.18421284 1.03876480
	H 1.01819843 -0.72252324 -0.65013513
	H 3.45793287 -1.99748140 0.59252358
	H 3.14069100 -2.18125904 -1.13087577
	H 3.18118416 0.20206290 -1.50717948
	H 4.63924918 -0.26704237 -0.62896777
	H 3.32233003 0.47599705 1.52562467
	H 3.92388153 1.72242418 0.41688007
	38
	-53.2441872591000 8.004094147908281E-004 !mtd9
	C 1.61049723 1.39287084 0.20719886
	O 1.17427032 1.31667148 -0.92574119
	O 0.88318147 1.74472073 1.24161644
	H -0.08460978 1.89130629 1.00952420
	C 3.05153244 1.13961280 0.57773854
	C 3.78168468 0.17123915 -0.35382128
	C 3.50983084 -1.31408610 -0.09177510
	C 2.14830338 -1.81211745 -0.59337474
	C 1.04816331 -1.78609041 0.46720627
	C -0.32808285 -2.03279246 -0.15110520
	C -1.46652023 -1.65877237 0.79650804
	C -2.84590072 -1.73027115 0.12132777
	C -3.75119374 -0.54267381 0.46622966
	C -3.53150105 0.66879182 -0.45605678
	C -2.11192362 1.16909182 -0.38080612
	O -1.67709973 1.80000832 0.56696228
	O -1.39432373 0.85326993 -1.42845662
	H -0.42625771 1.10735514 -1.32934953
	H -3.74684851 0.39185483 -1.48808962
	H -4.19719580 1.47510010 -0.14440620
	H -3.58757171 -0.24120092 1.50224367
	H -4.79696106 -0.83985613 0.36592429
	H -2.71844165 -1.76718640 -0.96241995
	H -3.34573395 -2.65408076 0.41717040
	H -1.29219157 -0.64629978 1.16295064
	H -1.44515886 -2.31387559 1.66980592
	H -0.41936739 -3.08024703 -0.44678822
	H -0.41609989 -1.42748779 -1.05612995
	H 1.25429590 -2.53863638 1.23200042
	H 1.04237411 -0.81678002 0.96584469
	H 1.84026973 -1.19635217 -1.44023520
	H 2.24901634 -2.83714932 -0.95714566
	H 3.60877547 -1.52191136 0.97602330
	H 4.29328091 -1.87663702 -0.60447029
	H 3.51538220 0.41123248 -1.38478102
	H 4.85382945 0.34351234 -0.23679549
	H 3.08702058 0.80122935 1.61414520
	H 3.54199437 2.11709683 0.53555098
	38
	-53.2440692768000 7.064660194897793E-004 !gc
	C 1.83635003 1.46626352 -0.27982399
	O 1.07693487 1.70289703 -1.20213043
	O 1.55109832 1.72679042 0.97142472
	H 0.57822080 1.92633402 1.09102712
	C 3.18776217 0.83338504 -0.49126977
	C 3.48863474 -0.26595806 0.53635600
	C 2.32422062 -1.22730987 0.79080362
	C 1.76955372 -1.88277935 -0.47222039
	C 0.70642721 -2.93890509 -0.15948265
	C -0.63055019 -2.38203442 0.33852104
	C -1.40996450 -1.63873268 -0.74772822
	C -2.89601160 -1.47061563 -0.42021947
	C -3.22389103 -0.52375206 0.73829076
	C -3.25669608 0.96192038 0.34172035
	C -1.86351286 1.49405221 0.13916689
	O -1.08821125 1.67293722 1.06015499
	O -1.56662264 1.73508632 -1.11510256
	H -0.59038088 1.91867497 -1.23903013
	H -3.82953865 1.09886034 -0.57491451
	H -3.71738447 1.52968214 1.15190999
	H -2.51097077 -0.65841388 1.55237904
	H -4.21454598 -0.77930911 1.11999126
	H -3.41338728 -1.11732482 -1.31538876
	H -3.30075298 -2.45738990 -0.17968905
	H -1.34070354 -2.21210696 -1.67597760
	H -0.95616749 -0.66749988 -0.93583026
	H -0.46047482 -1.72772000 1.19412963
	H -1.23567433 -3.22397914 0.68570470
	H 0.51905316 -3.52680469 -1.06170575
	H 1.10551214 -3.61996877 0.59680570
	H 1.34385591 -1.12747722 -1.13295504
	H 2.59124234 -2.36608570 -1.00748264
	H 1.52706006 -0.69065234 1.30548850
	H 2.67693106 -2.00944858 1.46814009
	H 4.35546476 -0.82781714 0.18232536
	H 3.75441170 0.20062845 1.48628352
	H 3.94480862 1.61681019 -0.41091748
	H 3.21367539 0.44304224 -1.50908852
	38
	-53.2439988934000 6.557605802462279E-004 !mtd1
	C 1.00591901 2.15792931 0.04349064
	O 0.29042861 2.29403903 -0.93108212
	O 0.54697819 1.99569386 1.26065702
	H -0.45191051 1.93410120 1.28091482
	C 2.50922120 2.10645572 -0.05077994
	C 2.92768832 0.71611379 -0.55692240
	C 2.81379432 -0.36164738 0.52207086
	C 2.95017720 -1.76954947 -0.06726275
	C 1.62708353 -2.29250814 -0.63512769
	C 0.74670232 -2.93623470 0.44058600
	C -0.73142192 -2.97507744 0.04069731
	C -1.40888070 -1.63671691 0.32908645
	C -2.77229549 -1.49079481 -0.34553709
	C -3.48519366 -0.20215835 0.09946858
	C -2.49771512 0.93407939 0.02505762
	O -2.04001077 1.47651569 1.01338678
	O -2.13389142 1.23528388 -1.19834917
	H -1.32793774 1.82509583 -1.20746817
	H -4.33168309 0.00003113 -0.55628400
	H -3.83021982 -0.29086465 1.12961284
	H -3.40309240 -2.34710610 -0.10062191
	H -2.63559578 -1.46652879 -1.42799763
	H -1.52201510 -1.51584764 1.40903732
	H -0.75560375 -0.83558834 -0.02236352
	H -1.24590436 -3.76427962 0.59235634
	H -0.81198842 -3.20935521 -1.02306558
	H 0.84019707 -2.37938257 1.37529023
	H 1.10656611 -3.94970722 0.62891427
	H 1.09092486 -1.46670864 -1.10537636
	H 1.82575266 -3.03122410 -1.41424893
	H 3.70801050 -1.74796411 -0.85331766
	H 3.29935409 -2.45993404 0.70292951
	H 1.85424426 -0.27437374 1.03445862
	H 3.59572290 -0.19518240 1.26593147
	H 2.30338143 0.45784337 -1.41505347
	H 3.96142317 0.76502289 -0.90451053
	H 2.94481705 2.30202564 0.92820444
	H 2.83451056 2.86457207 -0.76375308
	38
	-53.2436652491000 4.606944735210643E-004 !md5
	C 1.86866323 1.47335776 -0.18528007
	O 1.09064690 1.61187881 -1.11099326
	O 1.56560170 1.74889377 1.06140077
	H 0.58376158 1.89745270 1.17819608
	C 3.26924031 0.95214124 -0.36744658
	C 3.25778438 -0.56840225 -0.60559565
	C 2.88378219 -1.38304156 0.63711213
	C 1.37867770 -1.56067344 0.85140451
	C 0.76499297 -2.64111043 -0.03877699
	C -0.76480071 -2.64312148 0.03623309
	C -1.38115984 -1.56187146 -0.85114287
	C -2.88551206 -1.38416994 -0.63144882
	C -3.25468364 -0.56676817 0.61089802
	C -3.26836200 0.95326873 0.36906866
	C -1.86852965 1.47501406 0.18300414
	O -1.09042367 1.61963959 1.10771933
	O -1.56592942 1.74339055 -1.06539727
	H -0.58414779 1.89112155 -1.18338206
	H -3.85839391 1.18893833 -0.51612492
	H -3.70000598 1.44301541 1.24327730
	H -2.56435598 -0.78690862 1.42672701
	H -4.25684073 -0.85196420 0.93696892
	H -3.31931269 -0.89966085 -1.50861032
	H -3.33863664 -2.37507556 -0.54873177
	H -1.20751698 -1.83088898 -1.89561753
	H -0.86987753 -0.61780084 -0.67663282
	H -1.06909558 -2.49497522 1.07444664
	H -1.14548281 -3.61672937 -0.28146919
	H 1.06884078 -2.48960531 -1.07660485
	H 1.14809149 -3.61455504 0.27650945
	H 1.20160967 -1.83070290 1.89505832
	H 0.86818589 -0.61628253 0.67617734
	H 3.31394064 -0.89644053 1.51493309
	H 3.33743617 -2.37403575 0.55844717
	H 2.57127709 -0.79108637 -1.42391267
	H 4.26161794 -0.85364855 -0.92644253
	H 3.85715565 1.19064839 0.51840451
	H 3.70230128 1.44023018 -1.24189345
	38
	-53.2434974488000 3.857423517870793E-004 !mtd12
	C 1.94204069 1.32180250 0.38899770
	O 1.58233311 1.68005109 -0.71636814
	O 1.21820206 1.49761176 1.47099507
	H 0.30393978 1.85469675 1.26444281
	C 3.24074662 0.60748620 0.66451073
	C 3.59953476 -0.42002106 -0.42134371
	C 2.40487650 -1.20443585 -0.97325066
	C 1.50338266 -1.81557540 0.09659573
	C 0.27933093 -2.49208381 -0.52203076
	C -0.78941577 -2.82338091 0.52289741
	C -1.64190725 -1.61403218 0.91980169
	C -2.75739256 -1.32567960 -0.08627763
	C -3.55704917 -0.06102401 0.26054077
	C -3.14928171 1.16257430 -0.57304126
	C -1.70397634 1.52416784 -0.34739888
	O -1.27969296 1.95816037 0.70736967
	O -0.95106516 1.31692647 -1.40022125
	H 0.01227705 1.54122593 -1.23396688
	H -3.29683647 0.96365413 -1.63456774
	H -3.76185665 2.01495877 -0.27358475
	H -3.42991124 0.17498417 1.31846916
	H -4.61975031 -0.23497685 0.08395578
	H -2.33493566 -1.22473290 -1.08747207
	H -3.43026396 -2.18593877 -0.10438602
	H -1.00608959 -0.73478081 1.02757243
	H -2.09836363 -1.80363204 1.89420789
	H -0.29580030 -3.22523103 1.41048848
	H -1.44986948 -3.60247630 0.13557200
	H -0.14841397 -1.83336654 -1.28039340
	H 0.59419230 -3.40816233 -1.02634178
	H 2.06621049 -2.54300939 0.68648497
	H 1.16347399 -1.03602429 0.77841818
	H 2.78541771 -1.99840697 -1.62013153
	H 1.80758808 -0.53788663 -1.59788599
	H 4.07375468 0.09481615 -1.25843366
	H 4.32999121 -1.11065898 0.00419814
	H 3.15535204 0.13474902 1.64314726
	H 4.03227728 1.35804452 0.72375151
	38
	-53.2434657791000 3.730292933500849E-004 !mtd3
	C 1.88335372 1.49166476 0.14366365
	O 1.33996782 1.90628173 -0.86349734
	O 1.28810859 1.41171227 1.30824849
	H 0.32969719 1.70737881 1.27628981
	C 3.31225431 1.01294632 0.17094565
	C 3.45548550 -0.36543112 -0.49335677
	C 2.66515929 -1.46821334 0.22514625
	C 1.33441783 -1.79062229 -0.45648470
	C 0.51174409 -2.78061981 0.37025708
	C -0.79773125 -3.23587081 -0.29432886
	C -2.04388054 -2.49569322 0.19954747
	C -2.06673317 -1.03387124 -0.23172596
	C -3.22315668 -0.24321792 0.37908098
	C -3.25260673 1.19915149 -0.15562612
	C -1.85305778 1.75432956 -0.06910561
	O -1.28621788 1.97734179 0.98493132
	O -1.28657392 1.90462297 -1.24085917
	H -0.30247924 2.08528152 -1.17243129
	H -3.56857443 1.21619388 -1.19811751
	H -3.92966796 1.80464511 0.44679580
	H -3.10291573 -0.21650676 1.46370950
	H -4.17480920 -0.72712334 0.15291314
	H -1.13362769 -0.57128364 0.08713768
	H -2.11677386 -0.97610002 -1.32157029
	H -2.08405136 -2.55217835 1.29000458
	H -2.93266846 -2.99954025 -0.18858484
	H -0.94245022 -4.29914366 -0.09117696
	H -0.71694072 -3.12058091 -1.37708752
	H 1.13856118 -3.65701975 0.55250915
	H 0.28933249 -2.33760266 1.34336592
	H 0.77638069 -0.86795667 -0.61459513
	H 1.53296113 -2.22164997 -1.44089121
	H 2.47501815 -1.16425377 1.25668917
	H 3.26379808 -2.38093422 0.26115383
	H 3.12862199 -0.29367688 -1.53221505
	H 4.51799459 -0.61419598 -0.49594672
	H 3.64481200 0.96392738 1.20772880
	H 3.92099525 1.73413768 -0.37684285
	38
	-53.2434019148000 3.486526234383236E-004 !gc
	C 1.70490818 1.44753730 0.14119925
	O 1.01898917 1.83745335 1.07076989
	O 1.28010404 1.41056995 -1.09662454
	H 0.31715556 1.67825547 -1.16932038
	C 3.13542224 1.01161105 0.33032062
	C 3.59021931 -0.14190695 -0.56842404
	C 3.20472420 -1.54328567 -0.08269336
	C 1.74211963 -1.94791992 -0.31394577
	C 0.82816569 -1.66735434 0.87771121
	C -0.59823552 -2.18993410 0.68659947
	C -1.26791293 -1.67985259 -0.59148360
	C -2.79595680 -1.75212865 -0.54389042
	C -3.46114267 -0.68457429 0.32769819
	C -3.37400235 0.73194334 -0.25918193
	C -2.00406589 1.33943178 -0.09913069
	O -1.35014410 1.76823171 -1.03445096
	O -1.59102585 1.37479637 1.14398845
	H -0.64561906 1.69545577 1.21563405
	H -3.63389277 0.73078881 -1.31825394
	H -4.07375703 1.37676760 0.27687144
	H -3.02048122 -0.67826136 1.32502734
	H -4.51778078 -0.93951800 0.43241094
	H -3.18496368 -1.65852359 -1.56074663
	H -3.08830571 -2.73661660 -0.17038714
	H -0.92117405 -2.27642451 -1.43744916
	H -0.96358535 -0.65252222 -0.78086809
	H -1.18455267 -1.88171544 1.55438577
	H -0.58711926 -3.28258693 0.67084747
	H 1.25121564 -2.14191026 1.76726348
	H 0.78766666 -0.59750163 1.07384356
	H 1.36807838 -1.43216191 -1.19877616
	H 1.70360648 -3.02073516 -0.51922592
	H 3.44848029 -1.63902045 0.97782204
	H 3.84047122 -2.24815735 -0.62372133
	H 3.20238821 0.01647561 -1.57544520
	H 4.68052537 -0.10087291 -0.62326648
	H 3.28023772 0.77151685 1.38483852
	H 3.74136517 1.89458719 0.10487048
	38
	-53.2433622671000 3.343275117321443E-004 !gc
	C 2.07585729 1.25771609 0.02054024
	O 1.45604632 1.30052751 1.06800997
	O 1.56671061 1.60495481 -1.13513422
	H 0.59808269 1.85841944 -1.06233274
	C 3.50540271 0.78709448 -0.05581986
	C 3.58563194 -0.69358075 -0.46944909
	C 2.68867629 -1.59368760 0.39041025
	C 1.32220493 -1.85500797 -0.25664968
	C 0.22743820 -2.06596733 0.78704120
	C -1.12867626 -2.44892925 0.18973513
	C -1.63298528 -1.46735143 -0.87736899
	C -3.13580447 -1.19474574 -0.79023709
	C -3.51901302 -0.23923811 0.34220163
	C -3.17130518 1.22740798 0.04666059
	C -1.69404468 1.51263702 0.14294531
	O -1.04602203 1.98661058 -0.77484918
	O -1.18003889 1.22543832 1.31334255
	H -0.18318269 1.34689339 1.32503329
	H -3.51556673 1.51282214 -0.94801769
	H -3.66518188 1.85948141 0.78799723
	H -3.02726465 -0.53763893 1.26889193
	H -4.59786159 -0.29955200 0.49973491
	H -3.47844915 -0.76966753 -1.73652505
	H -3.66079866 -2.14216148 -0.64774527
	H -1.40082652 -1.85914640 -1.86913363
	H -1.10732433 -0.52032143 -0.78309554
	H -1.84998002 -2.50083707 1.00783237
	H -1.06141421 -3.44940637 -0.24329350
	H 0.53926771 -2.85444111 1.47670114
	H 0.11643252 -1.14759590 1.36787687
	H 1.05432587 -1.00753041 -0.88823669
	H 1.38457566 -2.73075982 -0.90646923
	H 2.54097029 -1.11761235 1.36166185
	H 3.18690285 -2.54757324 0.57100105
	H 3.30541959 -0.79013947 -1.51963230
	H 4.62852882 -1.00084588 -0.37507175
	H 3.95348009 0.91176216 0.93064741
	H 4.03964106 1.39683664 -0.78451671
	38
	-53.2432627506000 3.009106087188177E-004 !gc
	C 1.97508395 1.38116734 -0.16260877
	O 1.41980297 2.00262971 0.72507982
	O 1.45328601 1.19882163 -1.35296549
	H 0.50202471 1.50489363 -1.39417687
	C 3.33575941 0.75577617 0.00147243
	C 3.30258780 -0.76927060 -0.17879698
	C 2.52607085 -1.50101463 0.92084962
	C 1.01032550 -1.52862583 0.70267336
	C 0.58702978 -2.54453066 -0.35870440
	C -0.81982901 -2.31839855 -0.91776441
	C -1.95303998 -2.48423108 0.10531492
	C -2.41613387 -1.16500836 0.72873443
	C -3.21533038 -0.30365231 -0.25496618
	C -3.17101591 1.18444399 0.11869205
	C -1.74748187 1.66356013 -0.02299262
	O -1.15197432 1.65713994 -1.08436161
	O -1.20271579 2.03561347 1.10916743
	H -0.22050261 2.21096178 1.01858736
	H -3.80356079 1.75198047 -0.56534927
	H -3.50221768 1.34287012 1.14427773
	H -4.25322041 -0.63895428 -0.28346363
	H -2.80498370 -0.40839919 -1.26063825
	H -3.03562460 -1.37678655 1.60311539
	H -1.54575680 -0.61135107 1.07868024
	H -1.62189847 -3.15858838 0.89745844
	H -2.81349918 -2.95202473 -0.37868435
	H -0.96893555 -3.03465670 -1.72905830
	H -0.86098123 -1.32048958 -1.35784371
	H 1.28475307 -2.49438784 -1.19764739
	H 0.65544175 -3.55144209 0.06067547
	H 0.52314180 -1.77007355 1.64921337
	H 0.67351552 -0.53722673 0.40540121
	H 2.74213944 -1.02293594 1.87884741
	H 2.88431861 -2.53142576 0.98092692
	H 2.87562355 -0.99722804 -1.15598120
	H 4.33628298 -1.12080188 -0.17520600
	H 3.71813352 1.01672730 0.98889983
	H 3.98970981 1.18381241 -0.76089332
	38
	-53.2430919244000 2.511488612404964E-004 !mtd4
	C 1.59785960 1.59408807 0.39759158
	O 1.25396601 1.89868681 -0.72710592
	O 0.83734054 1.76973514 1.45635245
	H -0.07122402 2.11179736 1.22013629
	C 2.92517847 0.97069752 0.74996116
	C 3.48350481 0.04877612 -0.33973745
	C 2.46086297 -0.92532774 -0.93147655
	C 1.64414698 -1.69756993 0.10326026
	C 0.73907308 -2.72200651 -0.58242275
	C -0.33146362 -3.32839173 0.32841957
	C -1.33380348 -2.32570764 0.90907419
	C -2.00559491 -1.45447615 -0.15071909
	C -3.04119821 -0.50367739 0.45672656
	C -3.26412059 0.74084183 -0.42091982
	C -1.99080910 1.54497518 -0.37710156
	O -1.63631570 2.16684552 0.60586965
	O -1.26310777 1.44420674 -1.46575172
	H -0.34414690 1.81545889 -1.33887351
	H -3.48626708 0.45559638 -1.44808708
	H -4.07948329 1.33646690 -0.01045575
	H -2.69969750 -0.16734178 1.43864210
	H -3.99172377 -1.02084180 0.59462224
	H -1.24055596 -0.86778586 -0.65799705
	H -2.48234082 -2.08897284 -0.90079435
	H -0.83088289 -1.67934086 1.63153730
	H -2.09915700 -2.88315850 1.45494156
	H 0.15614047 -3.84697330 1.15745566
	H -0.88053118 -4.07608496 -0.24945148
	H 0.25561345 -2.25154982 -1.44025592
	H 1.35769516 -3.53429525 -0.97222258
	H 2.30931343 -2.20533020 0.80552324
	H 1.03265750 -0.99606755 0.67060848
	H 2.99650070 -1.63418312 -1.56752995
	H 1.77491623 -0.36808131 -1.57224109
	H 3.87748875 0.65750786 -1.15529888
	H 4.31514931 -0.51020438 0.09412701
	H 2.79692340 0.43650041 1.69180492
	H 3.63149260 1.78593456 0.92750406
	38
	-53.2430913635000 2.509998382025061E-004 !mtd12
	C 1.73199357 1.46451492 0.39126218
	O 1.37345945 1.78727481 -0.72431244
	O 0.96316358 1.56603959 1.45208605
	H 0.03445943 1.86094631 1.22160371
	C 3.08997959 0.89733104 0.72305313
	C 3.62054887 -0.07271374 -0.34061229
	C 2.57767878 -1.06174114 -0.86770651
	C 1.81099457 -1.81962487 0.21541826
	C 0.79147054 -2.78775747 -0.40504946
	C -0.56009043 -2.81392812 0.31243232
	C -1.27570530 -1.46022195 0.25194021
	C -2.79253517 -1.58964775 0.37990989
	C -3.50496530 -0.24555784 0.54632607
	C -3.23259096 0.74067843 -0.59782474
	C -1.88623294 1.39843423 -0.42767829
	O -1.52181283 1.88742029 0.62498214
	O -1.14569133 1.39039866 -1.51157443
	H -0.21630727 1.71593394 -1.33352314
	H -3.27397126 0.24936062 -1.56946104
	H -3.98454829 1.53261639 -0.57121777
	H -3.19006840 0.22350577 1.48080590
	H -4.57961470 -0.42692781 0.60626905
	H -3.18400979 -2.09942342 -0.50403321
	H -3.02735087 -2.20912576 1.24885704
	H -1.03876909 -0.99206773 -0.70425611
	H -0.91070865 -0.81152744 1.05016116
	H -0.42652361 -3.11833696 1.35225129
	H -1.18601716 -3.56658887 -0.17350195
	H 0.61229167 -2.49663052 -1.44289122
	H 1.20546402 -3.79786953 -0.42252948
	H 2.51165473 -2.36596286 0.84992561
	H 1.28782632 -1.10488973 0.84854511
	H 3.08615572 -1.77947470 -1.51598925
	H 1.86167738 -0.51530236 -1.48443472
	H 3.99621033 0.50006936 -1.19016867
	H 4.46020605 -0.61791749 0.09497564
	H 3.01497497 0.41253068 1.69659789
	H 3.78363236 1.73619066 0.82053984
	38
	-53.2429425568000 2.144305290903806E-004 !md2
	C 2.06979993 1.27258784 0.01493904
	O 1.41938773 1.71618074 -0.91476649
	O 1.59642139 1.13488851 1.22742608
	H 0.60967047 1.31959619 1.28256561
	C 3.50094433 0.81674742 -0.10986439
	C 3.57969148 -0.64896640 -0.57648408
	C 2.72125459 -1.59192311 0.27629973
	C 1.32459362 -1.81854509 -0.31897817
	C 0.27104425 -2.06598353 0.75982938
	C -1.09376213 -2.48068023 0.20449179
	C -1.65929469 -1.50296528 -0.83570671
	C -3.15672342 -1.23666565 -0.66959161
	C -3.48186859 -0.26426000 0.46685818
	C -3.18822969 1.20286509 0.11518149
	C -1.71128833 1.50273387 0.14644100
	O -1.03460284 1.36942997 1.15086339
	O -1.23332051 1.92891802 -0.99766551
	H -0.23089521 2.00185123 -0.99800322
	H -3.57916759 1.45114507 -0.87130843
	H -3.66325009 1.84217704 0.86238587
	H -2.91583034 -0.52887877 1.36149469
	H -4.54432692 -0.34471967 0.70468865
	H -3.55533009 -0.82979997 -1.60184786
	H -3.66686699 -2.18441098 -0.48247364
	H -1.47745344 -1.89381727 -1.83820082
	H -1.13170875 -0.55514970 -0.76756700
	H -1.78560302 -2.55853058 1.04580107
	H -1.01417196 -3.47556099 -0.23925261
	H 0.62611263 -2.85246646 1.43062131
	H 0.15200647 -1.15680768 1.35339605
	H 1.03815985 -0.94580797 -0.90662597
	H 1.35271291 -2.66870329 -1.00434838
	H 2.62370102 -1.17110850 1.27867917
	H 3.22590121 -2.55416699 0.37815382
	H 3.26735915 -0.71165676 -1.62028989
	H 4.62815425 -0.94794838 -0.52590676
	H 3.97183342 0.90965459 0.86903958
	H 4.01462467 1.45332432 -0.83079017
	38
	-53.2429420954000 2.143258587020969E-004 !mtd5
	C 1.70379231 1.50505446 -0.14633277
	O 1.02705110 1.36753730 -1.15014248
	O 1.22493919 1.93117259 0.99737160
	H 0.22230188 2.00148322 0.99804303
	C 3.18188333 1.21082073 -0.11546314
	C 3.48195114 -0.25438254 -0.46945990
	C 3.16504176 -1.22947192 0.66697857
	C 1.66948479 -1.50253308 0.83871393
	C 1.10367354 -2.47886193 -0.20281023
	C -0.26004146 -2.06255500 -0.75952682
	C -1.31605228 -1.81950730 0.31790324
	C -2.71258368 -1.59659941 -0.27898843
	C -3.57635253 -0.65994410 0.57553500
	C -3.50585964 0.80710172 0.11167526
	C -2.07672899 1.26884649 -0.01383792
	O -1.42716163 1.71375989 0.91580632
	O -1.60393115 1.13426285 -1.22692055
	H -0.61732536 1.31974549 -1.28219711
	H -3.97825540 0.89949379 -0.86652130
	H -4.02174688 1.43982672 0.83439206
	H -3.26344969 -0.72251408 1.61916398
	H -4.62311107 -0.96468956 0.52478837
	H -2.61477810 -1.17209839 -1.27976344
	H -3.21292056 -2.56061900 -0.38512639
	H -1.03309363 -0.94666617 0.90711161
	H -1.34274683 -2.67062753 1.00212969
	H -0.61327744 -2.84701598 -1.43362416
	H -0.14016933 -1.15142872 -1.34987548
	H 1.79644786 -2.55730448 -1.04330128
	H 1.02215156 -3.47389202 0.24023475
	H 1.49394579 -1.89793525 1.84056141
	H 1.13769905 -0.55659621 0.77684878
	H 3.56548266 -0.82201287 1.59818088
	H 3.67853827 -2.17480286 0.47686922
	H 2.91467859 -0.52105673 -1.36268688
	H 4.54410875 -0.32936058 -0.71040732
	H 3.57176366 1.45931639 0.87138505
	H 3.65408032 1.85355771 -0.86153778
	38
	-53.2429141849000 2.080883634943583E-004 !gc
	C 1.32340519 1.70981033 0.15249435
	O 0.67649292 1.86547602 -0.86592117
	O 0.79247034 1.70681532 1.35170059
	H -0.20127052 1.81905705 1.32409342
	C 2.81964501 1.52141402 0.14390167
	C 3.25254657 0.42887930 -0.84730898
	C 3.54486014 -0.91737080 -0.18289580
	C 2.37412755 -1.55948185 0.56235450
	C 1.18592965 -1.91297548 -0.33170064
	C 0.21705191 -2.87164735 0.37160119
	C -1.20804862 -2.77218501 -0.18110249
	C -1.92463046 -1.55799336 0.41023504
	C -3.10506572 -1.06574862 -0.42690876
	C -3.57423002 0.32195366 0.04087854
	C -2.37894177 1.24054948 -0.00141004
	O -1.85105775 1.69988827 0.99442061
	O -1.92025394 1.43542070 -1.21488212
	H -0.99838754 1.81686779 -1.20104148
	H -4.34892517 0.69646390 -0.62799703
	H -3.95426963 0.28236806 1.06144964
	H -3.93522634 -1.77104482 -0.36576540
	H -2.79923067 -0.98994833 -1.47221659
	H -2.26252214 -1.78812558 1.42280579
	H -1.19677322 -0.75033835 0.49492641
	H -1.76554438 -3.68087282 0.05294198
	H -1.16326357 -2.68353107 -1.26874257
	H 0.19159559 -2.64426433 1.43989136
	H 0.58748992 -3.89296582 0.26479610
	H 0.66209581 -0.99868524 -0.61343502
	H 1.54472144 -2.37708820 -1.25318716
	H 2.74238030 -2.47581597 1.03141107
	H 2.03466239 -0.89817792 1.36213881
	H 4.36946178 -0.78360106 0.52240361
	H 3.88696564 -1.60820661 -0.95756362
	H 2.47773300 0.31658115 -1.60705753
	H 4.16241580 0.75038860 -1.35719474
	H 3.16119449 1.30376294 1.15505755
	H 3.24244582 2.48015561 -0.16513270
	38
	-53.2429130355000 2.078354217319563E-004 !mtd12
	C 2.37216665 1.24668107 -0.00031503
	O 1.84151729 1.69963414 -0.99762882
	O 1.91282444 1.44332235 1.21253437
	H 0.98931809 1.82100846 1.19788622
	C 3.57274024 0.33486065 -0.03953733
	C 3.11048088 -1.05448857 0.43025230
	C 1.93809520 -1.55762070 -0.41181761
	C 1.21975762 -2.76840836 0.18476446
	C -0.20460101 -2.87000996 -0.36958855
	C -1.17461657 -1.91011499 0.33030189
	C -2.36549401 -1.56454670 -0.56339508
	C -3.54000504 -0.92951544 0.18198265
	C -3.25574480 0.41758379 0.84813961
	C -2.82803015 1.51373561 -0.14132260
	C -1.33228920 1.70568331 -0.15232905
	O -0.68487944 1.86610945 0.86507649
	O -0.80236861 1.70003360 -1.35192688
	H 0.19125982 1.81422130 -1.32539478
	H -3.17133119 1.29753144 -1.15218713
	H -3.25270790 2.47042708 0.17144946
	H -2.48111600 0.30884393 1.60859771
	H -4.16799075 0.73355478 1.35727312
	H -4.36496093 -0.79964329 -0.52364459
	H -3.87868235 -1.62307141 0.95574466
	H -2.72833071 -2.48348942 -1.03158481
	H -2.03075297 -0.90171105 -1.36387996
	H -0.65242903 -0.99309929 0.60622014
	H -1.53029205 -2.37044549 1.25490227
	H -0.17809242 -2.64524184 -1.43839726
	H -0.57491738 -3.89114895 -0.26060951
	H 1.77708301 -3.67870971 -0.04327493
	H 1.17307652 -2.67397684 1.27183210
	H 2.28477635 -1.79597809 -1.41947682
	H 1.20893978 -0.75266513 -0.50990392
	H 3.94583781 -1.75420024 0.37632339
	H 2.79838449 -0.97707932 1.47360155
	H 4.34424679 0.71487715 0.62991298
	H 3.95450665 0.29543790 -1.05946204
	38
	-53.2428750065000 1.996377418049542E-004 !mtd5
	C 2.33069101 1.06401774 -0.05770697
	O 1.86441549 1.66896708 0.88995390
	O 1.88127458 1.18787236 -1.28336437
	H 1.02656336 1.70398839 -1.31840396
	C 3.43166941 0.04236674 0.06967944
	C 2.81698642 -1.34515646 -0.17721949
	C 1.77672749 -1.70776542 0.88955828
	C 0.67502030 -2.63867421 0.37910427
	C -0.16041701 -2.00454302 -0.73943863
	C -1.60151538 -2.51588441 -0.80402704
	C -2.48802515 -2.13010694 0.38641884
	C -2.47139545 -0.64606435 0.75810037
	C -2.96167521 0.27278607 -0.36035228
	C -2.74202677 1.75596100 -0.01862954
	C -1.25913453 2.02583605 -0.02511341
	O -0.60430903 2.09397725 -1.04809405
	O -0.73657090 2.12167894 1.17415052
	H 0.26299687 2.14656592 1.15034664
	H -3.21614807 2.37790765 -0.77836213
	H -3.14948297 1.98881556 0.96436354
	H -4.02559454 0.10079701 -0.53348886
	H -2.43035978 0.05717989 -1.28822435
	H -3.10913208 -0.50355732 1.63418611
	H -1.46100539 -0.36313439 1.05420430
	H -2.18109329 -2.69941456 1.26633977
	H -3.51325464 -2.42813547 0.15294032
	H -1.58902744 -3.60606381 -0.87932470
	H -2.05575893 -2.13639747 -1.72173719
	H -0.17225463 -0.92128875 -0.61592275
	H 0.30753111 -2.20843661 -1.70483988
	H 1.11389044 -3.57434453 0.02661235
	H 0.02740201 -2.87901016 1.22331074
	H 1.30418850 -0.79624883 1.26163810
	H 2.27769274 -2.17481400 1.74038094
	H 2.35140396 -1.33306664 -1.16254979
	H 3.61265264 -2.09136977 -0.19242586
	H 3.86610782 0.10384958 1.06720678
	H 4.19528899 0.24336114 -0.68178589
	38
	-53.2428375863000 1.918869833998889E-004 !mtd3
	C 1.44113136 1.73627317 -0.17425705
	O 0.83874774 2.23162297 0.76008665
	O 0.86664260 1.38794015 -1.30159031
	H -0.11728686 1.56973349 -1.29399653
	C 2.93010917 1.50591271 -0.16217795
	C 3.33627409 0.06317471 -0.48844796
	C 3.12175486 -0.91241346 0.67149904
	C 1.68504022 -1.40582756 0.85776204
	C 1.22447902 -2.32977587 -0.27437601
	C 0.02766417 -3.22812920 0.08294175
	C -1.32184380 -2.72748040 -0.43565803
	C -1.78370621 -1.44440212 0.24560858
	C -3.06118703 -0.88211214 -0.37775102
	C -3.43665092 0.47497777 0.23685566
	C -2.23440033 1.37489497 0.10549488
	O -1.74628525 1.67453799 -0.96859670
	O -1.72251576 1.73734244 1.25661827
	H -0.81654549 2.14757837 1.15003405
	H -4.27984726 0.90505383 -0.30429767
	H -3.68896432 0.37317359 1.29165047
	H -3.88644286 -1.58281803 -0.24157830
	H -2.90374441 -0.74390580 -1.44938500
	H -1.94099640 -1.62740158 1.31087408
	H -0.99041061 -0.70370091 0.15101362
	H -2.07164883 -3.50718578 -0.27951142
	H -1.24717994 -2.55502378 -1.51208301
	H -0.02836953 -3.35110858 1.16653664
	H 0.19612546 -4.21865297 -0.34560438
	H 0.97971988 -1.74128962 -1.15988163
	H 2.06870903 -2.97232669 -0.53619550
	H 1.64596429 -1.96054696 1.79854596
	H 1.01620241 -0.55136837 0.96202292
	H 3.45213175 -0.43303216 1.59627377
	H 3.76188288 -1.78378734 0.51107970
	H 2.79306591 -0.27193246 -1.37161872
	H 4.40006611 0.07100339 -0.73513960
	H 3.31704349 1.80481254 0.81280347
	H 3.34927826 2.16808135 -0.92379327
	38
	-53.2425364574000 1.395263569315832E-004 !mtd2
	C 2.22620596 1.20792155 -0.18166485
	O 1.56061405 1.48726686 -1.16247834
	O 1.85038764 1.46535264 1.04587628
	H 0.89699590 1.77586109 1.09492201
	C 3.53058706 0.46146281 -0.26300686
	C 3.20667612 -1.03658760 -0.40876295
	C 2.50559974 -1.62484708 0.82742943
	C 1.23544100 -2.40990344 0.48903677
	C 0.08016638 -1.52285370 0.02343812
	C -1.15565985 -2.35395533 -0.32166806
	C -2.29020437 -1.56059457 -0.98951059
	C -3.44087290 -1.17217596 -0.05735482
	C -3.16372709 -0.03252591 0.92304044
	C -2.95997783 1.33274923 0.23573904
	C -1.49370033 1.62691984 0.05717727
	O -0.75760712 1.84855577 1.00186306
	O -1.08656472 1.60893904 -1.18668903
	H -0.08842505 1.69410811 -1.26303492
	H -3.45622276 1.35515967 -0.73351108
	H -3.37059290 2.11887459 0.87109113
	H -2.29337036 -0.26162551 1.53892840
	H -4.02244202 0.04411364 1.59285929
	H -4.29878580 -0.88679319 -0.67221027
	H -3.73643052 -2.05337953 0.51796703
	H -2.72010251 -2.17938531 -1.78067416
	H -1.88605548 -0.66927595 -1.46849625
	H -1.52910469 -2.83964755 0.58262294
	H -0.83825058 -3.14741694 -1.00291918
	H -0.15551554 -0.80530117 0.81132446
	H 0.38280856 -0.96258455 -0.86351254
	H 1.46222266 -3.14620039 -0.28627770
	H 0.91736653 -2.95860416 1.37888853
	H 2.24374081 -0.82553079 1.52234114
	H 3.19526845 -2.28979363 1.35085003
	H 2.57848863 -1.16266172 -1.29207805
	H 4.14083781 -1.56761646 -0.59684759
	H 4.11083760 0.63737691 0.64174847
	H 4.08551254 0.79986083 -1.13806911
	38
	-53.2425341348000 1.391838552336600E-004 !mtd5
	C 1.50284826 1.62263014 -0.06505780
	O 0.76287565 1.84525277 -1.00648909
	O 1.10117411 1.60655344 1.18069808
	H 0.10340053 1.69081223 1.26154226
	C 2.96744970 1.32453734 -0.25018532
	C 3.16584551 -0.05005292 -0.92039804
	C 3.43395555 -1.18046322 0.07316172
	C 2.27454783 -1.56125079 0.99741302
	C 1.14277450 -2.35236516 0.32204812
	C -0.09021276 -1.51863746 -0.02669487
	C -1.24476072 -2.40166519 -0.50138418
	C -2.51414533 -1.61343523 -0.83554852
	C -3.21411723 -1.03089893 0.40409602
	C -3.52674734 0.47087497 0.27233637
	C -2.21832406 1.21023433 0.19045539
	O -1.54689242 1.48028549 1.16985934
	O -1.84724392 1.47416618 -1.03721153
	H -0.89273155 1.78043323 -1.08939983
	H -4.10994215 0.65844089 -0.62823359
	H -4.07530983 0.80578644 1.15277088
	H -2.58950632 -1.17062106 1.28784929
	H -4.15309901 -1.55610852 0.58447286
	H -2.25191216 -0.81092495 -1.52657359
	H -3.20447951 -2.27519956 -1.36213176
	H -1.47331875 -3.14377333 0.26782549
	H -0.92547305 -2.94363240 -1.39488321
	H 0.15062464 -0.79867515 -0.81078307
	H -0.39637806 -0.96104524 0.86065703
	H 1.52009860 -2.83600052 -0.58177268
	H 0.82122430 -3.14741420 0.99952254
	H 2.69566335 -2.17868156 1.79430125
	H 1.87014641 -0.66670043 1.46994544
	H 4.28585056 -0.88946468 0.69363322
	H 3.73504487 -2.06678378 -0.49138275
	H 2.29655171 -0.28152309 -1.53694289
	H 4.02745409 0.01501661 -1.58780904
	H 3.47088184 1.35933338 0.71493895
	H 3.37403694 2.10102791 -0.89974168
	38
	-53.2424207094000 1.234417747622960E-004 !md4
	C 1.77695345 1.57917357 -0.23420690
	O 1.26569974 2.03734303 0.77078912
	O 1.14633965 1.45941055 -1.37812714
	H 0.18461105 1.73020596 -1.30852327
	C 3.19895578 1.08546611 -0.28627551
	C 3.25752194 -0.44830706 -0.36982523
	C 2.68065091 -1.14103162 0.87062645
	C 1.19175843 -1.48338724 0.76234766
	C 0.92867969 -2.71325618 -0.10572956
	C -0.50802986 -3.24081837 -0.03903121
	C -1.55732538 -2.33166993 -0.69238410
	C -2.22119084 -1.36070984 0.28372997
	C -3.19149393 -0.40852654 -0.42698225
	C -3.28003761 0.95070669 0.28214947
	C -1.92510246 1.60411558 0.17046592
	O -1.42186047 1.88942432 -0.90020850
	O -1.31853206 1.77064977 1.32011542
	H -0.36311173 2.05168016 1.20569736
	H -4.02044540 1.57740672 -0.21644466
	H -3.54180774 0.83358399 1.33280836
	H -4.18497363 -0.85430399 -0.48693402
	H -2.84428502 -0.22818246 -1.44672695
	H -2.75423504 -1.92487664 1.05193292
	H -1.45084864 -0.78165398 0.79096291
	H -2.33753438 -2.94883138 -1.14429151
	H -1.08588309 -1.76383064 -1.49767895
	H -0.77951974 -3.41900828 1.00374139
	H -0.52168760 -4.20787879 -0.54720344
	H 1.17575947 -2.49289863 -1.14638581
	H 1.59530740 -3.51461246 0.22512920
	H 0.80656973 -1.67649733 1.76633660
	H 0.65523238 -0.62628104 0.35868517
	H 2.83257742 -0.49231038 1.73580570
	H 3.23310850 -2.06502303 1.05605445
	H 2.72670157 -0.77538825 -1.26430943
	H 4.30666087 -0.72652594 -0.48535832
	H 3.72130684 1.43232306 0.60576180
	H 3.67190307 1.50687507 -1.17452938
	38
	-53.2423272022000 1.118122078938023E-004 !gc
	C 1.64182474 1.61113776 0.23840798
	O 1.24541164 1.69302867 -0.90789731
	O 0.88064683 1.83690761 1.28352378
	H -0.06484626 2.04435767 1.02826044
	C 3.05316748 1.24079209 0.62215464
	C 3.51287160 -0.06524281 -0.03529267
	C 2.61835369 -1.26921954 0.30706256
	C 1.72148072 -1.65591836 -0.86829999
	C 0.83851482 -2.87838559 -0.61339011
	C -0.24727622 -2.70154980 0.45218609
	C -1.12119973 -1.46618764 0.21420099
	C -2.55414219 -1.64781953 0.71558135
	C -3.34447050 -0.33880898 0.80437051
	C -3.27789833 0.51667709 -0.47020841
	C -1.98345704 1.28981030 -0.49596654
	O -1.61459080 1.97266888 0.44164538
	O -1.28580737 1.14822199 -1.59821900
	H -0.36642451 1.52862214 -1.50567653
	H -3.36183313 -0.09104697 -1.36998088
	H -4.09358985 1.24243322 -0.45293344
	H -2.96298961 0.26436951 1.63110653
	H -4.38771533 -0.57683550 1.01897850
	H -3.07444323 -2.34123745 0.05024929
	H -2.53583203 -2.09833787 1.71082957
	H -1.14957101 -1.25970173 -0.85611129
	H -0.67061955 -0.60980494 0.71813334
	H 0.20561705 -2.64675984 1.44346628
	H -0.87613635 -3.59528482 0.43401931
	H 0.35070612 -3.13771814 -1.55662019
	H 1.47236061 -3.72253490 -0.32980015
	H 1.10140599 -0.80487547 -1.14776762
	H 2.36174161 -1.88229942 -1.72525057
	H 2.00720300 -1.03517949 1.17998620
	H 3.24079750 -2.12837091 0.56661635
	H 3.52990061 0.07586231 -1.11704262
	H 4.53667513 -0.25427129 0.29136223
	H 3.09936301 1.16429786 1.70889139
	H 3.70818423 2.05337080 0.29875999
	38
	-53.2423252492000 1.115813693021288E-004 !gc
	C 1.97865440 1.29686284 0.48914606
	O 1.60642678 1.96805513 -0.45559865
	O 1.28177280 1.16320997 1.59277047
	H 0.36079728 1.53975498 1.49737447
	C 3.27737683 0.53067336 0.47223138
	C 3.35316546 -0.33335614 -0.79588363
	C 2.56563679 -1.64377595 -0.70282456
	C 1.12919893 -1.46282536 -0.21108844
	C 0.25868779 -2.70022514 -0.45157087
	C -0.82957756 -2.88082635 0.61084645
	C -1.71563371 -1.66078697 0.86669450
	C -2.61287554 -1.27353406 -0.30825841
	C -3.51444884 -0.07623443 0.03937408
	C -3.06415939 1.23529919 -0.61413352
	C -1.65099877 1.60652328 -0.23809916
	O -1.25168175 1.69891786 0.90644286
	O -0.89183614 1.81903703 -1.28725954
	H 0.05471659 2.02828469 -1.03704782
	H -3.11784669 1.16428341 -1.70086208
	H -3.71957895 2.04341639 -0.28080104
	H -3.53043239 0.06110205 1.12164195
	H -4.53771710 -0.27045568 -0.28592976
	H -2.00183814 -1.03186958 -1.17917603
	H -3.23025061 -2.13478002 -0.57286921
	H -1.09793583 -0.80867207 1.14836913
	H -2.35602787 -1.89053045 1.72267758
	H -0.34377990 -3.14157480 1.55473015
	H -1.46127367 -3.72537915 0.32368934
	H -0.19167677 -2.64602451 -1.44403682
	H 0.88954000 -3.59253082 -0.43211684
	H 1.15060927 -1.25301642 0.85875385
	H 0.68040403 -0.60880866 -0.72044612
	H 3.08379233 -2.33148720 -0.02993765
	H 2.55437675 -2.10081253 -1.69518616
	H 2.97491722 0.26316873 -1.62889497
	H 4.39823324 -0.57032321 -1.00275345
	H 3.36196152 -0.07002555 1.37667169
	H 4.08902825 1.26094427 0.45242832
	38
	-53.2423149036000 1.103664765969991E-004 !md4
	C 1.27686036 1.73487489 0.03850065
	O 0.60693754 2.00048494 1.01930667
	O 0.76789477 1.57317467 -1.15957705
	H -0.22769826 1.68459338 -1.17092838
	C 2.77979949 1.61514334 0.07358947
	C 3.32995017 0.41144769 -0.70411167
	C 3.52773932 -0.83501310 0.15919172
	C 2.25480372 -1.44309254 0.74857631
	C 1.28886576 -1.99549109 -0.30115220
	C 0.25519894 -2.95308770 0.31474198
	C -1.14050882 -2.79316556 -0.29479018
	C -1.82735454 -1.55546673 0.27945690
	C -3.02376678 -1.07557071 -0.54047569
	C -3.57318625 0.25340509 0.00700535
	C -2.41398775 1.21573955 0.04499278
	O -1.86402542 1.62480778 -0.96102899
	O -2.00244068 1.49695541 1.25781674
	H -1.09259625 1.91110982 1.26058115
	H -4.35171509 0.63270358 -0.65458224
	H -3.96728101 0.12662458 1.01429798
	H -3.81482121 -1.82690795 -0.53132796
	H -2.71241037 -0.92002521 -1.57560335
	H -2.14466387 -1.75767783 1.30481194
	H -1.08725773 -0.75553516 0.32464318
	H -1.74283013 -3.67920853 -0.08511088
	H -1.05372572 -2.70146975 -1.37955785
	H 0.18048770 -2.76744608 1.38853777
	H 0.59613291 -3.98192219 0.18770222
	H 0.77830346 -1.16639807 -0.79216637
	H 1.85600573 -2.52288309 -1.07108925
	H 2.55577883 -2.26008587 1.40947421
	H 1.73836051 -0.70097075 1.36114238
	H 4.20346803 -0.58380352 0.98108236
	H 4.02448860 -1.59389050 -0.45070790
	H 2.66757084 0.19127787 -1.54088317
	H 4.30278672 0.68316161 -1.11876729
	H 3.10465188 1.59558927 1.11440075
	H 3.15353191 2.53643053 -0.38131691
	38
	-53.2422911967000 1.076322059166225E-004 !mtd1
	C 1.47480410 1.49063194 0.45757675
	O 1.13917575 1.89450060 -0.63899344
	O 0.66650131 1.45723394 1.49217674
	H -0.25600921 1.76321872 1.25542822
	C 2.86533374 1.00213363 0.77096126
	C 3.52039252 0.31067335 -0.42691735
	C 3.22963901 -1.18806008 -0.52439822
	C 1.76048733 -1.57008916 -0.77231266
	C 1.02956431 -2.05127276 0.48508021
	C -0.23213080 -2.86302039 0.17259235
	C -1.43655707 -2.03726280 -0.28680704
	C -2.11020802 -1.30964485 0.87573429
	C -3.41237953 -0.59610024 0.50085290
	C -3.27114172 0.39927969 -0.66054561
	C -2.04850934 1.25827161 -0.47208474
	O -1.78436773 1.84002303 0.56268926
	O -1.26735627 1.27791934 -1.52737001
	H -0.39061216 1.71601392 -1.33213536
	H -3.18368165 -0.11573589 -1.61644846
	H -4.15236319 1.04294648 -0.68951943
	H -3.76751173 -0.05846930 1.38175728
	H -4.16882726 -1.33360591 0.22582673
	H -2.34230232 -2.03761832 1.65756336
	H -1.41819299 -0.58617091 1.30828281
	H -2.16579295 -2.70954637 -0.74639058
	H -1.11618417 -1.32588714 -1.04786724
	H -0.51932876 -3.42345467 1.06605235
	H 0.01403817 -3.59309492 -0.60262003
	H 1.70635207 -2.70087666 1.04671191
	H 0.77899721 -1.20837397 1.12928498
	H 1.23468139 -0.72657898 -1.21966312
	H 1.73629944 -2.38422019 -1.50062116
	H 3.58307713 -1.67734421 0.38637363
	H 3.83444103 -1.57313653 -1.34846476
	H 3.18439817 0.80997417 -1.33790770
	H 4.60257138 0.43738295 -0.35725645
	H 2.82606862 0.35202048 1.64470900
	H 3.44193837 1.89161166 1.03998342
	38
	-53.2422909197000 1.076006613903399E-004 !mtd9
	C 2.04795195 1.25683108 0.47558375
	O 1.78708396 1.84552465 -0.55604456
	O 1.26443772 1.27111863 1.52930684
	H 0.38942283 1.71269583 1.33494449
	C 3.26909747 0.39522484 0.66161106
	C 3.40738062 -0.59696433 -0.50288963
	C 2.10380024 -1.30799611 -0.87737651
	C 1.43466788 -2.04259450 0.28337677
	C 0.22834583 -2.86532743 -0.17629943
	C -1.03252875 -2.05097420 -0.48511094
	C -1.75806911 -1.56656020 0.77419993
	C -3.22792332 -1.18431198 0.53146039
	C -3.51765890 0.31401398 0.42478877
	C -2.85986992 0.99884026 -0.77533590
	C -1.47114015 1.49112292 -0.45983930
	O -1.13839597 1.89668485 0.63695631
	O -0.66099192 1.46006623 -1.49322080
	H 0.25987832 1.76902805 -1.25463586
	H -2.81672589 0.34353984 -1.64498234
	H -3.43675018 1.88582413 -1.05209107
	H -3.18302650 0.81818887 1.33361305
	H -4.59964188 0.44073761 0.35262607
	H -3.58670934 -1.67994843 -0.37375183
	H -3.82874946 -1.56254227 1.36160578
	H -1.23014360 -0.72238010 1.21775586
	H -1.73154154 -2.37923150 1.50404690
	H -1.71261908 -2.69980981 -1.04366677
	H -0.78209724 -1.20957935 -1.13132248
	H 0.51333515 -3.42417957 -1.07150690
	H -0.01773276 -3.59677387 0.59765176
	H 2.16547218 -2.71801442 0.73587560
	H 1.11752631 -1.33579530 1.05003126
	H 2.33274129 -2.03117364 -1.66455879
	H 1.41031591 -0.58171605 -1.30283114
	H 3.76143173 -0.05707210 -1.38286634
	H 4.16354164 -1.33605012 -0.23138714
	H 3.18107145 -0.12233380 1.61608050
	H 4.15158800 1.03710472 0.69165710
	38
	-53.2422327629000 1.011784276592378E-004 !mtd6
	C 0.78566111 2.13644503 0.27325404
	O 0.20027630 2.35479837 -0.76876441
	O 0.17421447 1.90847047 1.41370286
	H -0.81913439 1.86909319 1.31421251
	C 2.28664499 2.08468516 0.40448759
	C 2.93193633 1.22569910 -0.68897484
	C 2.35631851 -0.18964139 -0.79846962
	C 2.32535686 -0.94662006 0.53113307
	C 2.30284495 -2.46742376 0.36130914
	C 1.10711270 -3.04777678 -0.39850690
	C -0.24503727 -2.90347908 0.31699223
	C -1.09292803 -1.76496324 -0.24544823
	C -2.45247923 -1.65108288 0.44365073
	C -3.33135416 -0.56687593 -0.20448827
	C -2.54880059 0.71894613 -0.17085434
	O -2.33968283 1.34197055 0.85238833
	O -2.04839614 1.05519804 -1.33726373
	H -1.34522053 1.75751783 -1.25428842
	H -3.55657595 -0.82371938 -1.23873827
	H -4.25419496 -0.45364395 0.36396230
	H -2.30793002 -1.40345631 1.49725640
	H -2.97548699 -2.60766419 0.38810772
	H -0.54944295 -0.82714963 -0.12785855
	H -1.24736629 -1.92594757 -1.31523617
	H -0.08149251 -2.74185028 1.38427012
	H -0.80944776 -3.83311827 0.21350082
	H 1.31278275 -4.10992341 -0.55028890
	H 1.04640469 -2.58983450 -1.38660316
	H 3.21255320 -2.76485875 -0.16780849
	H 2.33991728 -2.92583160 1.35301618
	H 3.22589459 -0.69712566 1.09885854
	H 1.46639520 -0.62950087 1.12396537
	H 2.97381430 -0.74392922 -1.50961761
	H 1.35107363 -0.13169989 -1.21831865
	H 2.80005426 1.72500256 -1.65056853
	H 4.00245509 1.16758585 -0.48112037
	H 2.52677657 1.70799048 1.39805320
	H 2.66446895 3.10642379 0.32076265
	38
	-53.2422317650000 1.010716423994461E-004 !mtd1
	C 2.54356445 0.73311086 -0.16846977
	O 2.32774647 1.35091941 0.85653885
	O 2.04386304 1.07071044 -1.33483118
	H 1.33629049 1.76850184 -1.25039227
	C 3.33461758 -0.54741325 -0.20502980
	C 2.46346276 -1.63929929 0.44053501
	C 1.10407678 -1.75979860 -0.24786924
	C 0.26373029 -2.90463723 0.31301404
	C -1.08988904 -3.05384573 -0.39861503
	C -2.28589350 -2.47858009 0.36474521
	C -2.31576472 -0.95765843 0.53241000
	C -2.35301989 -0.20301965 -0.79841826
	C -2.93935727 1.20809029 -0.69128189
	C -2.30092604 2.07397393 0.40088259
	C -0.79988474 2.13273114 0.27285878
	O -0.21330648 2.35652640 -0.76730362
	O -0.18987478 1.90437851 1.41398077
	H 0.80383667 1.86964332 1.31640666
	H -2.68390209 3.09342107 0.31295372
	H -2.54125299 1.69892292 1.39501887
	H -4.00943215 1.14218145 -0.48346956
	H -2.81121010 1.70664843 -1.65376263
	H -1.34837661 -0.13807591 -1.21870383
	H -2.96645552 -0.76320453 -1.50845161
	H -1.45742401 -0.63523601 1.12323379
	H -3.21645758 -0.71196643 1.10147810
	H -2.31706252 -2.93578042 1.35719008
	H -3.19598835 -2.78135659 -0.16064888
	H -1.03371779 -2.59538488 -1.38672395
	H -1.29171060 -4.11676248 -0.55013054
	H 0.83283816 -3.83087262 0.20459749
	H 0.10253510 -2.74757647 1.38134160
	H 1.25834000 -1.91749680 -1.31821036
	H 0.55504892 -0.82553589 -0.12760129
	H 2.99261428 -2.59227504 0.38180904
	H 2.31803382 -1.39573349 1.49492595
	H 4.25673426 -0.42928486 0.36357648
	H 3.56153173 -0.80010596 -1.23991752
	38
	-53.2421594498000 9.362580355253942E-005 !gc
	C 1.13739394 2.01779942 0.34469840
	O 0.63118296 2.38510621 -0.69680248
	O 0.46837756 1.89645390 1.46983878
	H -0.50687126 2.05998993 1.34403324
	C 2.58683734 1.62618639 0.47945475
	C 3.02891351 0.74653508 -0.69436365
	C 2.18159365 -0.51557589 -0.87247716
	C 2.19211102 -1.44229028 0.34440010
	C 1.74634980 -2.86618425 0.00438794
	C 0.28081641 -3.01225300 -0.41562327
	C -0.72012853 -2.84091403 0.73784660
	C -1.44323852 -1.49326648 0.75425780
	C -2.47819473 -1.36117773 -0.36373588
	C -3.27617937 -0.05174712 -0.25578029
	C -2.30465365 1.09832017 -0.23226305
	O -2.07705910 1.76166324 0.76035860
	O -1.68092585 1.27374416 -1.37596574
	H -0.91554700 1.90376554 -1.28181179
	H -3.93656041 0.04698971 -1.11730088
	H -3.86181694 -0.03399182 0.66334951
	H -3.17527952 -2.20005002 -0.31491703
	H -1.98456523 -1.38919786 -1.33618024
	H -1.95086829 -1.37643064 1.71487526
	H -0.71036422 -0.68940674 0.67421623
	H -0.19289003 -2.96553129 1.68580437
	H -1.47470807 -3.62904727 0.68529999
	H 0.16205759 -4.01180697 -0.83935963
	H 0.06199154 -2.30113571 -1.21137853
	H 2.37639305 -3.23652309 -0.80894114
	H 1.92605675 -3.50780281 0.87089004
	H 3.21246938 -1.49508198 0.73393231
	H 1.55783058 -1.03851491 1.13442484
	H 2.57619871 -1.06148869 -1.73316639
	H 1.15796675 -0.22544752 -1.11437641
	H 2.96480251 1.33622565 -1.61076751
	H 4.07301863 0.46588672 -0.54214197
	H 2.72110931 1.11970201 1.43442074
	H 3.18368692 2.54119357 0.48637015
	38
	-53.2421584445000 9.352625707452913E-005 !mtd1
	C 2.28803930 1.12282018 -0.23236071
	O 2.05479050 1.78676235 0.75849792
	O 1.66128799 1.28844442 -1.37591077
	H 0.89078495 1.91225796 -1.28317986
	C 3.27275119 -0.01606922 -0.25432329
	C 2.49143530 -1.33522040 -0.36385397
	C 1.46062793 -1.48349720 0.75587825
	C 0.75400500 -2.83986641 0.73623128
	C -0.24729200 -3.01993352 -0.41550915
	C -1.71345195 -2.88640501 0.00645140
	C -2.17202263 -1.46652335 0.34620607
	C -2.16696826 -0.53941337 -0.87048304
	C -3.03146069 0.71157928 -0.69636401
	C -2.60449038 1.59849742 0.47756329
	C -1.16083442 2.01109906 0.34402600
	O -0.65864031 2.38337147 -0.69765879
	O -0.49138175 1.90211482 1.47024046
	H 0.48165634 2.07696044 1.34421879
	H -3.21491898 2.50451997 0.48306036
	H -2.73248360 1.09068590 1.43268069
	H -4.07219299 0.41723963 -0.54703450
	H -2.97228084 1.30108219 -1.61321415
	H -1.14592666 -0.23610531 -1.10705947
	H -2.55011362 -1.09003499 -1.73334396
	H -1.54301811 -1.05762669 1.13782285
	H -3.19268588 -1.52845223 0.73358580
	H -1.88633794 -3.52906313 0.87357894
	H -2.34116276 -3.26294615 -0.80585057
	H -0.03563385 -2.30743097 -1.21194922
	H -0.12059423 -4.01870456 -0.83886080
	H 1.51831847 -3.61825977 0.67892432
	H 0.23058643 -2.97472353 1.68491604
	H 0.71829124 -0.68791305 0.68047225
	H 1.96906228 -1.36424858 1.71579161
	H 1.99627352 -1.36721721 -1.33539656
	H 3.19937253 -2.16516615 -0.31853874
	H 3.85682917 0.00872988 0.66563790
	H 3.93327873 0.09096947 -1.11480289
	38
	-53.2421509831000 9.279071734733751E-005 !md8
	C 1.67723617 1.45581597 0.18573335
	O 1.11385526 1.57758334 -0.88475315
	O 1.10385343 1.71626906 1.33848077
	H 0.11873019 1.87359416 1.24351909
	C 3.11526756 1.02479798 0.32996567
	C 3.53147763 -0.04774730 -0.68147751
	C 3.22607139 -1.49140550 -0.26649287
	C 1.76314299 -1.93129004 -0.41536434
	C 0.91962256 -1.72362499 0.84157204
	C -0.50424515 -2.27333210 0.71577661
	C -1.25049848 -1.73417441 -0.50701813
	C -2.77358897 -1.79778921 -0.36591508
	C -3.38209113 -0.68727287 0.49404448
	C -3.40492487 0.68711092 -0.19711128
	C -2.04638190 1.33592981 -0.14969065
	O -1.49793465 1.63562070 0.89427185
	O -1.51146479 1.54110506 -1.33207909
	H -0.54100425 1.77207494 -1.26725655
	H -3.72292962 0.59507673 -1.23510509
	H -4.09905511 1.33647705 0.33971860
	H -2.83779561 -0.59407181 1.43522852
	H -4.41234222 -0.96067599 0.73023494
	H -3.22536827 -1.75034436 -1.35956131
	H -3.04358706 -2.76302854 0.06938798
	H -0.95871422 -2.31257070 -1.38544463
	H -0.94723465 -0.70565026 -0.68682793
	H -1.04865112 -2.00394481 1.62340660
	H -0.47300235 -3.36445579 0.66490278
	H 1.40918704 -2.21964763 1.68405120
	H 0.86162617 -0.66374084 1.08016005
	H 1.31856536 -1.39284405 -1.25277291
	H 1.74164169 -2.99615916 -0.66096482
	H 3.55473537 -1.65032568 0.76313277
	H 3.83731503 -2.13615035 -0.90256179
	H 3.04839968 0.16955383 -1.63610716
	H 4.61045456 0.03305284 -0.82932609
	H 3.27977232 0.69462498 1.35572535
	H 3.71592388 1.92379237 0.16414456
	38
	-53.2421506423000 9.275726000423532E-005 !mtd3
	C 2.05504270 1.33149583 0.14529662
	O 1.50578580 1.63076153 -0.89837453
	O 1.52325552 1.54185841 1.32821218
	H 0.55325528 1.77452752 1.26488593
	C 3.41117116 0.67777033 0.19162237
	C 3.37922238 -0.70095167 -0.49055802
	C 2.76109478 -1.80144188 0.37545288
	C 1.23768179 -1.72996503 0.50867814
	C 0.49470071 -2.27541172 -0.71321974
	C -0.92932815 -1.72717042 -0.84389111
	C -1.77445740 -1.92903922 0.41291413
	C -3.23469413 -1.48048014 0.26322662
	C -3.53169285 -0.03651097 0.68321941
	C -3.11086867 1.03700276 -0.32534794
	C -1.66972603 1.45848147 -0.18390857
	O -1.10385870 1.57843272 0.88545877
	O -1.09665883 1.71340226 -1.33803047
	H -0.11080417 1.86744871 -1.24483406
	H -3.28043077 0.71154249 -1.35180705
	H -3.70525727 1.93927414 -0.15439998
	H -3.04648705 0.17503186 1.63806791
	H -4.61003849 0.04987823 0.83235110
	H -3.56259088 -1.63349957 -0.76750756
	H -3.85082178 -2.12395333 0.89584800
	H -1.32715815 -1.39221627 1.24983703
	H -1.75895643 -2.99379375 0.65958694
	H -1.41749224 -2.22773022 -1.68454321
	H -0.87189870 -0.66842444 -1.08778196
	H 1.04073020 -2.00961272 -1.62095957
	H 0.46414149 -3.36632382 -0.65747964
	H 0.93952174 -2.30038434 1.39014907
	H 0.93763541 -0.69889774 0.67893029
	H 3.20804998 -1.74800605 1.37096828
	H 3.02863003 -2.77151580 -0.05063366
	H 2.83736392 -0.61006908 -1.43340401
	H 4.40804082 -0.98309294 -0.72289095
	H 3.73286124 0.59079547 1.22892216
	H 4.10615325 1.32028763 -0.35229001
	38
	-53.2421246233000 9.023819648824669E-005 !mtd9
	C 2.14663311 1.34535241 -0.10117387
	O 1.52478993 1.76581090 -1.06006381
	O 1.73564428 1.46552730 1.13637504
	H 0.81039467 1.84912887 1.18978094
	C 3.42288460 0.56051541 -0.24934450
	C 3.02320970 -0.89112616 -0.56963184
	C 2.50035656 -1.64893666 0.65787143
	C 1.37626654 -2.62772109 0.30279516
	C 0.01096331 -1.93827167 0.26076164
	C -1.05351427 -2.81960323 -0.39332677
	C -2.49046446 -2.36332421 -0.12747533
	C -2.78375186 -0.92244532 -0.57882179
	C -3.05789658 0.00852465 0.60384521
	C -2.99753170 1.49510761 0.21217300
	C -1.54607879 1.86803066 0.06463158
	O -0.83155020 2.10942488 1.02023828
	O -1.11553626 1.84316349 -1.17220746
	H -0.12075657 1.96058054 -1.22695979
	H -3.52427949 1.66567677 -0.72545872
	H -3.43485673 2.10054378 1.00601627
	H -2.32487439 -0.16578902 1.39432869
	H -4.04582417 -0.21025716 1.01340030
	H -1.94168309 -0.54184356 -1.15669130
	H -3.65244956 -0.90727830 -1.23972351
	H -2.69527320 -2.45484763 0.94136097
	H -3.16153428 -3.05436789 -0.64118834
	H -0.94688513 -3.83931457 -0.01420313
	H -0.87759083 -2.85129688 -1.47121988
	H -0.29041851 -1.69506886 1.28210018
	H 0.09843405 -1.00004091 -0.28955138
	H 1.58803205 -3.08740402 -0.66533164
	H 1.34085500 -3.42944311 1.04328998
	H 2.12314745 -0.94137788 1.39830398
	H 3.32721717 -2.19043411 1.12076392
	H 2.25807761 -0.86589991 -1.34864384
	H 3.88875440 -1.41147564 -0.98216600
	H 4.00369739 0.60483879 0.67036255
	H 3.99635798 0.97487502 -1.07838025
	38
	-53.2421225935000 9.004457972167277E-005 !mtd9
	C 1.54537487 1.86773004 -0.06695762
	O 0.82866977 2.10920363 -1.02095727
	O 1.11773561 1.84240751 1.17077206
	H 0.12277769 1.95738792 1.22843388
	C 2.99650396 1.49481424 -0.21780628
	C 3.05570125 0.00726789 -0.60603561
	C 2.78561858 -0.92060117 0.57999878
	C 2.49123225 -2.36278351 0.13372237
	C 1.05268811 -2.81578009 0.39636813
	C -0.00922611 -1.93486424 -0.26267187
	C -1.37375260 -2.62560881 -0.31050867
	C -2.49872230 -1.64705093 -0.66321513
	C -3.02336118 -0.89470523 0.56696145
	C -3.42332191 0.55817015 0.25267313
	C -2.14726061 1.34359497 0.10596507
	O -1.52259755 1.75788277 1.06573255
	O -1.73951012 1.47079108 -1.13185175
	H -0.81355115 1.85300962 -1.18568677
	H -4.00492302 0.60606020 -0.66635589
	H -3.99610239 0.96916393 1.08385461
	H -2.25907338 -0.87248073 1.34691214
	H -3.88912917 -1.41727019 0.97625055
	H -2.12195753 -0.93633379 -1.40082824
	H -3.32440954 -2.18808579 -1.12873314
	H -1.58681750 -3.08972391 0.65521161
	H -1.33586856 -3.42408388 -1.05435132
	H 0.29633504 -1.69150023 -1.28269530
	H -0.09958167 -0.99668883 0.28727370
	H 0.94557530 -3.83643262 0.01990425
	H 0.87364939 -2.84416039 1.47386678
	H 2.70017330 -2.45931701 -0.93388485
	H 3.15903782 -3.05277734 0.65315280
	H 1.94541924 -0.53874501 1.15979335
	H 3.65668576 -0.90345643 1.23778302
	H 2.32034427 -0.16928278 -1.39383851
	H 4.04240391 -0.21249431 -1.01806184
	H 3.52579361 1.66739485 0.71804262
	H 3.43165911 2.09849571 -1.01416007
	38
	-53.2419121747000 7.207021046531974E-005 !mtd5
	C 1.63340801 1.84597548 -0.08898146
	O 1.14638699 1.87049026 1.02620703
	O 0.98514782 2.21220536 -1.16812273
	H 0.02436543 2.41653381 -0.97734426
	C 3.01067840 1.31430105 -0.38148569
	C 2.88879365 -0.20057990 -0.62838254
	C 2.56746451 -0.96096787 0.65783114
	C 2.24191160 -2.44383186 0.42751865
	C 0.74770710 -2.77131230 0.48592908
	C -0.05512873 -2.30225481 -0.72677026
	C -1.53500695 -2.68252126 -0.59784048
	C -2.33520162 -1.66339245 0.22230476
	C -2.94357910 -0.57294967 -0.66257068
	C -3.29656361 0.70173055 0.12697391
	C -2.01510362 1.46681969 0.31882253
	O -1.57742368 2.23109300 -0.52091901
	O -1.37928330 1.17281925 1.42774298
	H -0.45888914 1.56565142 1.44306381
	H -3.98733943 1.31564808 -0.45022111
	H -3.73455123 0.44363305 1.08970216
	H -3.84743129 -0.95620270 -1.13916601
	H -2.24396543 -0.30425422 -1.45785586
	H -3.14021573 -2.16678085 0.76114990
	H -1.68181646 -1.20921467 0.96814977
	H -1.60128599 -3.66656955 -0.12981071
	H -1.98355877 -2.76668064 -1.58992270
	H 0.36453172 -2.76444006 -1.62341381
	H 0.02969832 -1.22039125 -0.83944345
	H 0.63884076 -3.85661336 0.56324274
	H 0.32575710 -2.33703358 1.39470515
	H 2.64648861 -2.76583493 -0.53446394
	H 2.73717971 -3.03562261 1.19993502
	H 1.72842745 -0.48347624 1.16538239
	H 3.42979371 -0.87620688 1.32265492
	H 2.11604225 -0.37653471 -1.37890150
	H 3.83455660 -0.56315926 -1.03623789
	H 3.66639556 1.49973504 0.46883918
	H 3.39880843 1.80572561 -1.27277489
	38
	-53.2419103863000 7.193394832375427E-005 !mtd1
	C 2.02355227 1.46029244 0.31510299
	O 1.58490221 2.21355959 -0.53402511
	O 1.39055854 1.18286468 1.42975461
	H 0.47048389 1.57668714 1.44163983
	C 3.30292871 0.69011105 0.12977960
	C 2.94706283 -0.58451536 -0.65846920
	C 2.32756290 -1.66900911 0.22615199
	C 1.52427838 -2.68469183 -0.59538705
	C 0.04583425 -2.29898963 -0.72564937
	C -0.76088994 -2.77053647 0.48356193
	C -2.25347874 -2.43607973 0.42444003
	C -2.57158437 -0.95238315 0.66031647
	C -2.89878418 -0.18846969 -0.62235551
	C -3.00907528 1.32679145 -0.37293146
	C -1.62645965 1.84949558 -0.08953127
	O -1.13512157 1.87828361 1.02370361
	O -0.97934054 2.20204514 -1.17392215
	H -0.01624616 2.40043934 -0.98784767
	H -3.40036540 1.82162020 -1.26093827
	H -3.65744855 1.51577154 0.48220684
	H -3.84999500 -0.54478788 -1.02287031
	H -2.13306065 -0.36840577 -1.37910797
	H -3.42853126 -0.86537434 1.33169075
	H -1.72695737 -0.47906325 1.16243920
	H -2.75307661 -3.02904711 1.19314617
	H -2.65773277 -2.75184485 -0.53973163
	H -0.33823842 -2.34268075 1.39507760
	H -0.65694045 -3.85667112 0.55556283
	H -0.03566609 -1.21641665 -0.83421508
	H -0.37355540 -2.75619385 -1.62496048
	H 1.97364495 -2.77026095 -1.58697358
	H 1.58622755 -3.66920115 -0.12773792
	H 1.67394749 -1.20900197 0.96828168
	H 3.12686392 -2.17645075 0.76968933
	H 2.25312283 -0.31358544 -1.45793362
	H 3.85112000 -0.97436630 -1.12925580
	H 3.73609258 0.43233937 1.09477678
	H 3.99854927 1.29976954 -0.44611646
	38
	-53.2418253755000 6.574544055874942E-005 !mtd12
	C 1.01879881 1.81645480 0.39800882
	O 0.49166802 2.17383115 -0.63613654
	O 0.35240014 1.59343328 1.50990711
	H -0.63305539 1.70768580 1.39461483
	C 2.50072060 1.58466489 0.55951733
	C 3.14561200 0.99694055 -0.69658895
	C 2.63334520 -0.39840908 -1.06366688
	C 2.89449708 -1.46607227 0.01222511
	C 1.61871990 -1.90853484 0.73417112
	C 0.77159436 -2.85992919 -0.11861560
	C -0.70732567 -2.85239959 0.28044620
	C -1.42467522 -1.64352317 -0.31706300
	C -2.80855002 -1.39834156 0.28190174
	C -3.47724681 -0.15894000 -0.33905283
	C -2.50710672 0.98509345 -0.19574124
	O -2.21626595 1.48142408 0.87560945
	O -1.94441212 1.33535578 -1.32980454
	H -1.13732890 1.90174368 -1.18683311
	H -3.68416582 -0.32041236 -1.39615591
	H -4.40111158 0.06711766 0.19287735
	H -2.71195589 -1.24055800 1.35802880
	H -3.44676464 -2.26863190 0.12030993
	H -0.80606439 -0.76136208 -0.14451434
	H -1.51325254 -1.77214723 -1.39844395
	H -0.78759389 -2.82843211 1.36941588
	H -1.19034354 -3.76776696 -0.06721899
	H 1.17383116 -3.87054801 -0.02385667
	H 0.84874543 -2.57788203 -1.17063235
	H 1.88336280 -2.41183909 1.66689708
	H 1.03529596 -1.02675795 1.00130038
	H 3.35425405 -2.34576891 -0.44257263
	H 3.60773205 -1.07774781 0.74163177
	H 3.12017796 -0.68895994 -1.99658783
	H 1.56362733 -0.33487004 -1.26871045
	H 2.94490525 1.66966304 -1.53267741
	H 4.22623438 0.95684639 -0.54494273
	H 2.65284710 0.94670284 1.42969289
	H 2.95204133 2.55759365 0.77292023
	38
	-53.2417880232000 6.319747275907603E-005 !mtd8
	C 2.12099222 1.23277676 0.24789052
	O 1.68075864 1.62978412 -0.81578206
	O 1.45482889 1.29820980 1.37364162
	H 0.52503421 1.65502963 1.24867231
	C 3.47198325 0.58441835 0.40835831
	C 3.51175941 -0.78573128 -0.28759434
	C 2.35332340 -1.70857001 0.12240706
	C 1.22845906 -1.69449272 -0.91335498
	C -0.00742648 -2.49603451 -0.50894546
	C -0.74714120 -1.93481349 0.71177832
	C -2.25246170 -2.20948312 0.62851481
	C -2.96586070 -1.19800157 -0.27653817
	C -3.35689257 0.08916263 0.46698358
	C -3.05622765 1.36279859 -0.33948125
	C -1.58134529 1.65891939 -0.24611388
	O -1.04396528 1.93385202 0.81160967
	O -0.93305573 1.55893839 -1.37921025
	H 0.05449522 1.69783163 -1.26465462
	H -3.34821197 1.25059988 -1.38250830
	H -3.59278956 2.20401184 0.10261634
	H -2.81116044 0.15825960 1.41010515
	H -4.42053606 0.06660294 0.70698829
	H -2.30821173 -0.95201145 -1.11189011
	H -3.86312070 -1.65411522 -0.69854491
	H -2.69613898 -2.17230153 1.62527674
	H -2.40324393 -3.22041958 0.24418244
	H -0.58902703 -0.85733023 0.78047806
	H -0.34294974 -2.38006761 1.62216242
	H -0.68728445 -2.50064975 -1.36393172
	H 0.27614911 -3.53311545 -0.31628812
	H 0.92647523 -0.66709586 -1.11652903
	H 1.61712965 -2.10532871 -1.84919736
	H 1.96804527 -1.40170713 1.09584183
	H 2.71734344 -2.73319908 0.22398553
	H 3.48565166 -0.63448269 -1.36801999
	H 4.46776386 -1.24955550 -0.03956214
	H 3.66821433 0.47050063 1.47456660
	H 4.22885923 1.23341676 -0.03481898
	38
	-53.2416902585000 5.698626142455450E-005 !mtd5
	C 2.13755999 1.31154160 0.13709575
	O 1.49533340 1.39128167 1.16826878
	O 1.73359472 1.79867705 -1.00994010
	H 0.78913156 2.13743436 -0.97862254
	C 3.45066859 0.58325588 0.01993403
	C 3.16020367 -0.80890913 -0.56926610
	C 2.55201865 -1.77943787 0.45531428
	C 1.37445309 -2.58994983 -0.10391420
	C 0.03650387 -1.89903606 0.16380403
	C -1.13096425 -2.56329182 -0.57127072
	C -2.48039081 -2.38751667 0.13470162
	C -2.82227892 -0.95221557 0.53679431
	C -3.04348569 -0.01038667 -0.64549537
	C -3.01194624 1.46637705 -0.20693575
	C -1.57264772 1.83781177 0.03192493
	O -0.85347601 2.27093062 -0.85028083
	O -1.15242807 1.58888687 1.24770788
	H -0.15433417 1.65554446 1.33268460
	H -3.40940802 2.09866357 -1.00046795
	H -3.59025798 1.59801898 0.70648668
	H -4.00903370 -0.22100024 -1.10860326
	H -2.27349408 -0.16342757 -1.40342310
	H -3.73182019 -0.97033453 1.14253969
	H -2.02518590 -0.56226995 1.16864792
	H -2.47112046 -2.99270791 1.04454095
	H -3.26824038 -2.78033181 -0.51282590
	H -0.93801905 -3.63628842 -0.64868323
	H -1.18647141 -2.17587049 -1.59039034
	H -0.14766228 -1.92518883 1.23993230
	H 0.10740149 -0.85201066 -0.13451834
	H 1.50795070 -2.74292086 -1.17700157
	H 1.35343411 -3.57651038 0.36391356
	H 2.20105868 -1.21971127 1.32412393
	H 3.33031996 -2.45975520 0.80455339
	H 2.48256723 -0.68184571 -1.41577034
	H 4.09152935 -1.22122719 -0.96002708
	H 3.92345251 0.49694118 0.99724120
	H 4.09532462 1.13993963 -0.65996132
	38
	-53.2416886895000 5.689172519698726E-005 !mtd1
	C 1.56978233 1.84086698 0.02765379
	O 0.84797532 2.27088781 -0.85383352
	O 1.15307405 1.59584511 1.24541974
	H 0.15517384 1.66058040 1.33263893
	C 3.00876554 1.46953468 -0.21353522
	C 3.04021144 -0.00880917 -0.64671459
	C 2.82112605 -0.94660526 0.53913386
	C 2.48458588 -2.38469486 0.14249829
	C 1.13749121 -2.56731269 -0.56608543
	C -0.03314870 -1.90380480 0.16424132
	C -1.37027419 -2.59243779 -0.11300452
	C -2.54910319 -1.78547864 0.44894469
	C -3.15742752 -0.81032492 -0.57112990
	C -3.45055971 0.57812086 0.02572354
	C -2.13944560 1.31013413 0.14199465
	O -1.49422221 1.38856964 1.17135632
	O -1.74042004 1.80216344 -1.00473838
	H -0.79605100 2.14115349 -0.97590465
	H -4.09893824 1.13619937 -0.64948455
	H -3.92025277 0.48560496 1.00395415
	H -4.08764059 -1.22187227 -0.96523598
	H -2.47906181 -0.67758687 -1.41616257
	H -3.32706281 -2.46811401 0.79423467
	H -2.19920212 -1.22971436 1.32070933
	H -1.35119271 -3.58248409 0.34751961
	H -1.50037866 -2.73739703 -1.18761874
	H -0.10132158 -0.85582327 -0.13141467
	H 0.14540882 -1.93340050 1.24126618
	H 1.19403845 -2.18337965 -1.58644805
	H 0.94779236 -3.64113764 -0.63994095
	H 3.27528601 -2.77794902 -0.50129863
	H 2.47485375 -2.98593726 1.05496934
	H 2.02210424 -0.55707162 1.16879290
	H 3.73019671 -0.95909887 1.14570477
	H 2.26918684 -0.16487119 -1.40294440
	H 4.00519711 -0.22071800 -1.11038101
	H 3.58903978 1.60479208 0.69812509
	H 3.40407086 2.09919596 -1.01022882
	38
	-53.2416520901000 5.473047078928534E-005 !mtd11
	C 1.64903647 1.58908104 0.35575431
	O 0.83881115 1.98155110 1.17669574
	O 1.46207738 1.68673251 -0.93677332
	H 0.52184888 1.94211759 -1.15381249
	C 2.95326079 0.96037311 0.77849223
	C 3.55483333 -0.04736761 -0.20637938
	C 2.56179439 -1.04516842 -0.81094514
	C 1.60760752 -1.69633216 0.18842379
	C 0.71950960 -2.71832344 -0.52178097
	C -0.40636140 -3.29139385 0.34131729
	C -1.43299460 -2.26835186 0.83549755
	C -2.05540507 -1.43252439 -0.28235869
	C -3.17810771 -0.52742185 0.24208952
	C -3.26748697 0.79156846 -0.54058926
	C -1.98038975 1.54939406 -0.32818468
	O -1.18373651 1.78822404 -1.21622824
	O -1.78390994 1.87949936 0.92579314
	H -0.83975585 2.15777327 1.09136820
	H -3.40584809 0.60869219 -1.60597603
	H -4.09680333 1.38815090 -0.15912996
	H -2.98965300 -0.28360977 1.28939811
	H -4.13706061 -1.04442943 0.18771438
	H -1.28002522 -0.81265649 -0.73332274
	H -2.44156116 -2.09122045 -1.06287939
	H -0.96563673 -1.59757224 1.55948910
	H -2.22543476 -2.80855354 1.35993122
	H 0.02859311 -3.79037587 1.21081333
	H -0.92731704 -4.05133449 -0.24681773
	H 0.28941906 -2.25599335 -1.41199472
	H 1.34432847 -3.54797389 -0.86275051
	H 2.17110510 -2.18706673 0.98538116
	H 0.98359995 -0.92718638 0.64465236
	H 3.13661634 -1.82584038 -1.31534208
	H 1.96901374 -0.53722068 -1.57325017
	H 4.02653499 0.49282030 -1.02888760
	H 4.33775453 -0.59133458 0.32665040
	H 2.77527825 0.49774610 1.75112216
	H 3.66586000 1.77443728 0.93771053
	38
	-53.2410816423000 2.992743708405426E-005 !mtd9
	C 2.51394875 1.06140515 0.27968952
	O 2.17460953 1.61735617 -0.74711150
	O 1.92057265 1.25730504 1.43513688
	H 1.05434458 1.73932432 1.33083698
	C 3.58625337 0.00364575 0.32268346
	C 3.01651418 -1.22356730 -0.41064974
	C 1.76887649 -1.77000477 0.28682561
	C 0.90776352 -2.65052789 -0.61893292
	C -0.50070537 -2.83530675 -0.04638258
	C -1.39162202 -1.61218154 -0.27585262
	C -2.68338428 -1.69842690 0.53207384
	C -3.71216397 -0.61367497 0.20649122
	C -3.29701834 0.82063954 0.56034444
	C -2.56035117 1.56371616 -0.56342951
	C -1.08160507 1.73630320 -0.31838196
	O -0.58908997 1.88097564 0.78389669
	O -0.38449059 1.75073378 -1.43115170
	H 0.59682970 1.84252426 -1.26517465
	H -2.68909335 1.07213259 -1.52748916
	H -2.95622363 2.57846641 -0.66025644
	H -2.66566951 0.81543323 1.45085117
	H -4.19982510 1.38052781 0.80829745
	H -3.97029075 -0.66662608 -0.85368829
	H -4.61834759 -0.85000530 0.76951405
	H -2.44064495 -1.65046397 1.59625996
	H -3.14783357 -2.67077437 0.34580036
	H -1.62489028 -1.53440010 -1.34031449
	H -0.85406878 -0.70994210 0.01238055
	H -0.97200724 -3.70472003 -0.51007798
	H -0.42611802 -3.03468199 1.02518130
	H 0.82863974 -2.19106364 -1.60697319
	H 1.38689312 -3.62350794 -0.74513117
	H 1.15747937 -0.93502498 0.62818490
	H 2.06122699 -2.33357956 1.17525663
	H 2.76053048 -0.91811232 -1.42773885
	H 3.78368586 -1.99646183 -0.47464110
	H 3.82236562 -0.23514242 1.35852323
	H 4.47718291 0.35963854 -0.19431985
	38
	-53.2408418063000 2.321926843255625E-005 !mtd10
	C 0.32281706 2.28806852 0.34368783
	O -0.50334946 2.57927774 -0.49844273
	O 0.02050277 1.71317128 1.48585679
	H -0.94574967 1.47166624 1.54009434
	C 1.80225337 2.51179532 0.16533426
	C 2.30144160 1.70874231 -1.04407421
	C 2.03982161 0.20377972 -0.93551681
	C 2.73673800 -0.43934625 0.26449511
	C 2.87979745 -1.96409188 0.17970562
	C 1.67336771 -2.77783918 0.65800422
	C 0.46830464 -2.79575509 -0.29754888
	C -0.74543930 -2.07305723 0.28365364
	C -1.92163555 -2.04511568 -0.69185324
	C -3.10241397 -1.22122380 -0.15209564
	C -2.62251884 0.19127498 0.05353255
	O -2.38951091 0.66940290 1.14691002
	O -2.41130350 0.83108778 -1.07391529
	H -1.89521301 1.67124849 -0.93014335
	H -3.91468451 -1.22642662 -0.87855726
	H -3.44908678 -1.62441272 0.79901749
	H -2.26052226 -3.06468908 -0.88489733
	H -1.60007069 -1.61193745 -1.64159355
	H -1.05534650 -2.56878501 1.20643787
	H -0.45847808 -1.05345473 0.54605443
	H 0.18517061 -3.82797646 -0.51480591
	H 0.74285200 -2.33380097 -1.24672262
	H 1.35878434 -2.39619391 1.63130777
	H 2.01542633 -3.80315194 0.81423976
	H 3.12917305 -2.25139086 -0.84437636
	H 3.72680096 -2.24972732 0.80913100
	H 3.74206552 -0.01408616 0.33089569
	H 2.20803128 -0.18277695 1.18377587
	H 2.40851779 -0.26305544 -1.85261517
	H 0.96440074 0.03074907 -0.88876496
	H 1.79931099 2.08732524 -1.93681991
	H 3.37329575 1.88395978 -1.15698828
	H 2.31905476 2.21627279 1.07663309
	H 1.97360965 3.57358707 -0.01962021
	38
	-53.2407798193000 2.174509350741256E-005 !gc
	C 1.54679436 1.55717047 0.37074759
	O 1.08519501 2.11289315 -0.60848228
	O 0.82081900 1.20061488 1.40543200
	H -0.14855197 1.41170904 1.27384332
	C 3.00819379 1.22815331 0.52734552
	C 3.28624083 -0.28333502 0.53541116
	C 3.10782738 -0.94774221 -0.83281437
	C 1.66828053 -1.34693389 -1.16550132
	C 1.16020490 -2.55014446 -0.35150228
	C 0.04057824 -2.20733831 0.63330649
	C -1.28016906 -1.86957669 -0.05817438
	C -2.31739014 -1.38255956 0.95263498
	C -3.56562910 -0.74694629 0.33313350
	C -3.28044215 0.35998369 -0.69700027
	C -2.06116108 1.18531426 -0.37153178
	O -1.73484297 1.51691815 0.75195231
	O -1.36169511 1.49666554 -1.44040695
	H -0.49189640 1.93347629 -1.20735048
	H -3.13355805 -0.05698376 -1.69375363
	H -4.13775239 1.03544886 -0.74429907
	H -4.16206315 -0.33319431 1.14792632
	H -4.16415671 -1.51393959 -0.16196605
	H -2.63388998 -2.22129670 1.57687835
	H -1.84908444 -0.65064147 1.61251577
	H -1.65659965 -2.74870492 -0.58637397
	H -1.09814626 -1.09640799 -0.80467224
	H 0.34560655 -1.35808504 1.24839891
	H -0.11689619 -3.05629168 1.30324858
	H 0.79537730 -3.32435317 -1.02972507
	H 1.99369273 -2.98173333 0.20674268
	H 1.01735441 -0.48806758 -1.01029048
	H 1.62589939 -1.58544941 -2.22982214
	H 3.73129500 -1.84427081 -0.87271878
	H 3.47225310 -0.26529255 -1.60415878
	H 4.32151211 -0.41701696 0.85637478
	H 2.64515464 -0.76426311 1.27436371
	H 3.33284122 1.64664893 1.48204199
	H 3.55923476 1.70760986 -0.28241760
	38
	-53.2407434502000 2.092411982582599E-005 !mtd10
	C 0.49695450 2.22374424 0.35063414
	O -0.26885306 2.53764055 -0.53905674
	O 0.10258535 1.72319746 1.49984742
	H -0.88156232 1.56208453 1.51987770
	C 1.99647279 2.33509327 0.23212030
	C 2.47608523 1.53893377 -0.98851763
	C 2.13341762 0.04873359 -0.90904338
	C 2.94954417 -0.70300358 0.14082231
	C 2.74636318 -2.22229167 0.13182141
	C 1.41362486 -2.68756263 0.73092413
	C 0.23479855 -2.70406203 -0.25695091
	C -1.01223190 -2.05721114 0.34353852
	C -2.15608438 -1.93036207 -0.66344900
	C -3.25566474 -0.97843452 -0.16316599
	C -2.63637060 0.38383150 0.01445963
	O -2.38098842 0.86986857 1.09958675
	O -2.33025895 0.96290859 -1.12380911
	H -1.73267858 1.74857277 -0.98870326
	H -4.05438804 -0.92009732 -0.90223728
	H -3.65461633 -1.31852957 0.79209106
	H -2.59236994 -2.91156157 -0.85728958
	H -1.76933909 -1.54174777 -1.60821931
	H -1.34731440 -2.63430537 1.20796506
	H -0.73966515 -1.06409478 0.70651179
	H 0.00601227 -3.73055773 -0.55026880
	H 0.50582347 -2.16715594 -1.16640724
	H 1.17085409 -2.03468041 1.57179727
	H 1.54731779 -3.69102350 1.13896968
	H 2.84668361 -2.60211668 -0.88711065
	H 3.55409929 -2.66153456 0.72245512
	H 4.00835339 -0.49896726 -0.04163851
	H 2.70775610 -0.32669376 1.13634516
	H 2.32653018 -0.39806255 -1.88769308
	H 1.06898884 -0.05516650 -0.69945943
	H 1.99812095 1.96195415 -1.87451646
	H 3.55567045 1.66355196 -1.09174448
	H 2.45260672 1.97262964 1.15171639
	H 2.25374244 3.38714640 0.09595185
	38
	-53.2404875946000 1.596114731146947E-005 !mtd12
	C 1.91584631 1.32135684 -0.35610554
	O 1.69540317 1.56005736 0.81386210
	O 1.16042154 1.77495456 -1.33510458
	H 0.35331269 2.25042561 -0.99450713
	C 3.05235468 0.46967192 -0.86316054
	C 3.47863861 -0.63867599 0.10785167
	C 2.31935377 -1.37922382 0.77983357
	C 1.25948277 -1.92278638 -0.17686066
	C 0.11910033 -2.56778972 0.61297987
	C -1.08214021 -3.01322462 -0.23648347
	C -2.27160806 -2.04975756 -0.16956724
	C -2.07404796 -0.79135064 -1.01199409
	C -3.14115617 0.27977847 -0.77068326
	C -2.95446355 1.01273301 0.56618331
	C -1.57428343 1.61944431 0.59757129
	O -1.17184306 2.40690372 -0.23587483
	O -0.82966044 1.17446908 1.58544322
	H 0.11610922 1.47713551 1.50144447
	H -3.69395031 1.81108933 0.64516361
	H -3.06354470 0.33821040 1.41382347
	H -4.13407015 -0.17241591 -0.79644492
	H -3.08197605 1.02082506 -1.57011914
	H -1.09471341 -0.36152098 -0.80364363
	H -2.08747102 -1.07164915 -2.06783219
	H -2.43866347 -1.77786832 0.87395674
	H -3.16931595 -2.56501910 -0.52114896
	H -1.42241344 -3.98703948 0.12163242
	H -0.77511202 -3.14024987 -1.27651617
	H 0.52532481 -3.43105090 1.14494383
	H -0.22301632 -1.85838176 1.36973470
	H 0.86675170 -1.11117280 -0.78981191
	H 1.70575010 -2.65848953 -0.85031836
	H 1.83710017 -0.70280971 1.48711342
	H 2.73554017 -2.20797959 1.35754898
	H 4.09669745 -1.34686545 -0.44782328
	H 4.09470678 -0.20369656 0.89674707
	H 3.90157855 1.13216816 -1.04919136
	H 2.74573018 0.05672360 -1.82490017
	38
	-53.2403424887000 1.368919945926275E-005 !mtd12
	C 1.70802296 1.50582570 -0.58697500
	O 1.32507917 2.34281261 0.20712125
	O 0.95612512 1.03128568 -1.55384325
	H 0.01636147 1.36158327 -1.49477392
	C 3.07383508 0.87161273 -0.52628543
	C 3.21165649 0.09786744 0.79501113
	C 2.07395920 -0.89581577 1.04572154
	C 2.01535468 -2.02046142 0.01355420
	C 0.89170637 -3.03955200 0.25669342
	C -0.41106699 -2.73324645 -0.49229076
	C -1.35803859 -1.77049070 0.22545873
	C -2.44859310 -1.28654811 -0.72840006
	C -3.53583018 -0.42387544 -0.07972513
	C -3.01235667 0.68114134 0.84431788
	C -1.82136374 1.42835053 0.30056649
	O -1.56471238 1.56614042 -0.87860776
	O -1.06328951 1.91341626 1.26204881
	H -0.22013505 2.31519642 0.90986176
	H -3.80566316 1.41174610 1.02200769
	H -2.72155842 0.27671154 1.81483371
	H -4.20248835 -1.05626146 0.51037686
	H -4.12545445 0.02682656 -0.87984745
	H -1.97677323 -0.71508718 -1.52919333
	H -2.93294059 -2.15236105 -1.18631843
	H -0.79608394 -0.91272280 0.59321957
	H -1.80480863 -2.27005191 1.08845215
	H -0.94734821 -3.66969087 -0.66550089
	H -0.16330554 -2.31883820 -1.47217277
	H 1.24527340 -4.01577309 -0.08236815
	H 0.69068998 -3.12243504 1.32663296
	H 1.89144705 -1.59773763 -0.98393565
	H 2.97644242 -2.54096473 0.03355378
	H 1.12873490 -0.35239448 1.06536256
	H 2.21474285 -1.33352821 2.03726149
	H 4.16698238 -0.43035717 0.79105370
	H 3.22477593 0.82048534 1.61330868
	H 3.83061405 1.65677712 -0.55801350
	H 3.20033261 0.21563838 -1.38568018
	38
	-53.2404735158000 1.572511888146709E-005 !mtd11
	C 1.50652589 1.68508073 0.22335269
	O 0.71649353 1.74286785 1.14779170
	O 1.15646953 1.80083312 -1.03372009
	H 0.15973639 1.80774149 -1.15343599
	C 2.98830257 1.46117169 0.39568613
	C 3.40983524 0.17305239 -0.32658018
	C 2.98540514 -1.10210969 0.42018889
	C 2.39455583 -2.16572321 -0.51434579
	C 0.88706880 -1.97463327 -0.71341038
	C 0.08994903 -2.53795468 0.47102148
	C -1.15393609 -1.72699038 0.83030478
	C -2.24898604 -1.75325071 -0.23657564
	C -3.47412007 -0.92202025 0.17810826
	C -3.50773078 0.48050087 -0.45114918
	C -2.19940798 1.19414242 -0.24043682
	O -1.44418740 1.45051403 -1.16041392
	O -1.94161444 1.48974862 1.00969927
	H -0.98874482 1.76988258 1.13962843
	H -3.68284828 0.40870184 -1.52515797
	H -4.30744931 1.06188721 0.00951544
	H -3.48838225 -0.82123586 1.26450057
	H -4.39058325 -1.43354282 -0.12053229
	H -1.85549876 -1.38196054 -1.18411897
	H -2.54975691 -2.79160582 -0.39254066
	H -0.84848833 -0.70010662 1.03060104
	H -1.57005526 -2.12700984 1.75909171
	H 0.73285459 -2.55414071 1.35393961
	H -0.19562484 -3.57119487 0.26167133
	H 0.67885774 -0.91001951 -0.82927663
	H 0.57338049 -2.46699264 -1.63523518
	H 2.90802270 -2.12199752 -1.47678113
	H 2.56887478 -3.16109342 -0.10033820
	H 2.24161486 -0.85004710 1.17784817
	H 3.84927704 -1.51465412 0.94434551
	H 2.96432762 0.18809938 -1.32232908
	H 4.49334304 0.18148143 -0.45312045
	H 3.22863533 1.41694159 1.45770489
	H 3.50323448 2.31157182 -0.05527285
	38
	-53.2401278087000 1.090731748297181E-005 !mtd9
	C 2.29929006 1.07867034 -0.13257163
	O 1.66921305 1.18426673 -1.16887562
	O 1.88189304 1.53958994 1.01926876
	H 0.95168240 1.92064862 0.97986396
	C 3.62906100 0.37477978 -0.02294521
	C 3.45551408 -1.14582846 -0.18388588
	C 2.27949753 -1.70292656 0.63598735
	C 1.06954225 -2.03053813 -0.24689021
	C -0.25333955 -2.02899380 0.51955143
	C -1.37496290 -2.67334400 -0.30156161
	C -2.77350895 -2.17274007 0.06859108
	C -3.03291607 -0.74561267 -0.44394611
	C -3.15207990 0.30363913 0.66346035
	C -2.88240461 1.72370449 0.13069721
	C -1.39538755 1.86881387 -0.06121476
	O -0.65539079 2.22753984 0.83752080
	O -0.97057512 1.51721399 -1.24845920
	H 0.03339213 1.48584740 -1.31019307
	H -3.39972975 1.87381714 -0.81581302
	H -3.21122507 2.46216434 0.86163587
	H -2.44274550 0.09431655 1.46718514
	H -4.15338465 0.27295604 1.09646017
	H -2.21984193 -0.46238159 -1.11305628
	H -3.94992138 -0.72493006 -1.03571900
	H -2.90003815 -2.21382880 1.15198268
	H -3.50652314 -2.85373083 -0.36751800
	H -1.33097614 -3.75692413 -0.17110561
	H -1.20712076 -2.46881484 -1.36158354
	H -0.13788043 -2.56611838 1.46358177
	H -0.51270995 -0.99712355 0.76048960
	H 0.99765906 -1.29862297 -1.05396815
	H 1.22158610 -3.00946260 -0.70790583
	H 1.99115618 -0.97724351 1.39884884
	H 2.58728313 -2.60859277 1.16149378
	H 3.29868464 -1.37650269 -1.23850853
	H 4.39061282 -1.61765106 0.12098750
	H 4.04547071 0.60097997 0.95874717
	H 4.29800250 0.74851209 -0.79908963
	38
	-53.2399827673000 9.355382362536157E-006 !mtd3
	C 2.41365855 0.80411857 0.00185060
	O 1.96175142 1.27494292 -1.02485444
	O 2.12607788 1.26752599 1.19528805
	H 1.37100425 1.91900120 1.16364906
	C 3.33950434 -0.38530130 0.00935559
	C 2.70584755 -1.54359185 -0.77496466
	C 1.64910615 -2.32149473 0.01198861
	C 0.49658599 -1.46527657 0.54132413
	C -0.69760650 -2.32407308 0.97270695
	C -1.62187444 -2.71716923 -0.18886293
	C -2.90702986 -1.88995451 -0.30412274
	C -2.71500400 -0.41164527 -0.67728794
	C -2.77469755 0.52708608 0.52769058
	C -2.48548866 1.99193910 0.15064640
	C -0.99934789 2.14684438 -0.03278711
	O -0.24458851 2.42389232 0.87934840
	O -0.59305635 1.89582384 -1.25559942
	H 0.40287415 1.84225470 -1.31009393
	H -3.00274039 2.25095143 -0.77237202
	H -2.80604387 2.64908776 0.95882031
	H -2.05850479 0.21774727 1.29010899
	H -3.77309845 0.47463935 0.96715605
	H -1.76951151 -0.28512271 -1.20432562
	H -3.50537790 -0.11369802 -1.37049261
	H -3.45969204 -1.95601827 0.63579603
	H -3.52371525 -2.36362031 -1.07157674
	H -1.92270483 -3.76043864 -0.06626544
	H -1.07318112 -2.65050570 -1.13028614
	H -0.30991435 -3.22570668 1.45238550
	H -1.27969967 -1.79376235 1.72731232
	H 0.84403128 -0.88558410 1.39756076
	H 0.17927683 -0.76641943 -0.23309625
	H 2.12756568 -2.82887958 0.85342019
	H 1.24530561 -3.09337200 -0.64763472
	H 2.26049934 -1.13319576 -1.68404900
	H 3.49326398 -2.23848651 -1.07300398
	H 3.55743156 -0.67055661 1.03771012
	H 4.26666260 -0.08732213 -0.48427835
	38
	-53.2399403440000 8.944686905803828E-006 !mtd10
	C 1.90761211 1.25571228 0.61104918
	O 1.64832237 2.03271845 -0.28651768
	O 1.07220962 0.98093084 1.58806541
	H 0.17488143 1.39218522 1.44803008
	C 3.20002614 0.48375822 0.70647973
	C 3.45825422 -0.31226199 -0.58352436
	C 2.25438560 -1.13049226 -1.05832691
	C 1.82840138 -2.24220913 -0.09568544
	C 0.37209193 -2.67423563 -0.29576033
	C -0.59496943 -1.60438713 0.20840953
	C -2.05893882 -2.04007631 0.23825551
	C -2.94855124 -1.00321449 0.94107448
	C -3.67150922 -0.00769816 0.02725493
	C -2.79997984 0.71975519 -0.99583261
	C -1.59068168 1.42318291 -0.43273704
	O -1.38213499 1.63912799 0.74340007
	O -0.75176302 1.77616412 -1.38796832
	H 0.10959929 2.12646107 -1.02766726
	H -2.43865620 0.03053854 -1.76144998
	H -3.39938305 1.47516536 -1.51143728
	H -4.15704057 0.73294420 0.66586222
	H -4.45323323 -0.53244753 -0.52743389
	H -3.72178057 -1.52244778 1.51162181
	H -2.34172894 -0.44556834 1.65494547
	H -2.12175350 -2.98545423 0.78226960
	H -2.42046901 -2.22676804 -0.77503469
	H -0.49864657 -0.71871523 -0.41695182
	H -0.30005433 -1.32587404 1.22296405
	H 0.18737519 -2.88158123 -1.35216671
	H 0.19890803 -3.59897105 0.25978031
	H 2.48750958 -3.10273626 -0.23042118
	H 1.93759436 -1.90433499 0.93557815
	H 2.49879303 -1.57298178 -2.02678051
	H 1.42246904 -0.44629975 -1.22566249
	H 3.71897443 0.39334970 -1.37438313
	H 4.31346040 -0.97002452 -0.41794652
	H 3.14651083 -0.16915112 1.57652205
	H 4.01721897 1.19273271 0.85235225
	38
	-53.2398737706000 8.336238419120382E-006 !gc
	C 2.14177173 1.28127189 0.07837044
	O 1.47781187 1.55761514 1.05971514
	O 1.71893389 1.45885083 -1.15188788
	H 0.75383147 1.72574946 -1.19279656
	C 3.51267391 0.65902729 0.14347613
	C 3.39869502 -0.85445304 0.40865538
	C 2.63029462 -1.61284684 -0.68923640
	C 1.38404067 -2.35281951 -0.18846632
	C 0.39040856 -1.41441200 0.49371341
	C -1.02970388 -1.96751305 0.63458104
	C -1.89222086 -1.70774405 -0.60796121
	C -3.35409162 -1.39802739 -0.27937833
	C -3.58522048 -0.08688583 0.47807588
	C -3.11515832 1.16407507 -0.27570381
	C -1.64097827 1.45251842 -0.12770082
	O -0.92752619 1.73016565 -1.07601846
	O -1.20997669 1.41883049 1.10887577
	H -0.22183199 1.56709299 1.17454294
	H -3.34805161 1.09288068 -1.33891844
	H -3.63415235 2.03523007 0.13263213
	H -3.09278921 -0.11184985 1.45020954
	H -4.65828826 0.00628995 0.65799172
	H -3.91724287 -1.36001317 -1.21544922
	H -3.76636113 -2.21410255 0.31913603
	H -1.86396106 -2.57741989 -1.26760557
	H -1.48115132 -0.87049421 -1.17367067
	H -1.49238265 -1.48097796 1.49347626
	H -0.99363837 -3.03652770 0.85168606
	H 0.76394319 -1.14668173 1.48330201
	H 0.33525383 -0.50228217 -0.09663534
	H 0.90179356 -2.82349606 -1.04785324
	H 1.67688318 -3.14573822 0.50379325
	H 3.29347557 -2.34032570 -1.16132778
	H 2.32322569 -0.91085000 -1.46669435
	H 4.41355552 -1.24643835 0.49157434
	H 2.91607199 -0.99977091 1.37491734
	H 4.07192211 1.12157112 0.95751097
	H 4.02294146 0.83282826 -0.80366400