| 14 | |
| -27.91143515 | |
| C -1.4893922265 -0.0458261896 0.2040548587 | |
| O -1.1892419189 -0.7553223503 1.1245160017 | |
| O -2.6013047949 -0.2233156148 -0.5159387758 | |
| H -3.0876135741 -1.0026895779 -0.2038234487 | |
| C -0.7023178271 1.1520635033 -0.2748429353 | |
| C 0.7010515255 1.1422147673 0.3166575489 | |
| C 1.4897911660 -0.0362107228 -0.2059415670 | |
| O 1.1948884953 -0.7065183639 -1.1569782318 | |
| O 2.5967457876 -0.2447576042 0.5132120466 | |
| H 3.0842459506 -1.0112710848 0.1724032668 | |
| H 0.6644986001 1.0648596826 1.4039079313 | |
| H 1.2406053513 2.0541592612 0.0552709428 | |
| H -0.6653646514 1.1143456066 -1.3641961664 | |
| H -1.2432995130 2.0530775379 0.0192117223 | |
| 14 | |
| -27.91098920 | |
| C -1.8931464759 -0.0833124677 -0.0347541006 | |
| O -2.0678002577 -1.1572694414 -0.5430725359 | |
| O -2.9000067139 0.7385695586 0.2820380197 | |
| H -3.7516498182 0.3479085327 0.0295914691 | |
| C -0.5564891822 0.5213355711 0.3100867569 | |
| C 0.5563046143 -0.5198597491 0.3121606153 | |
| C 1.8932172830 0.0833734117 -0.0342339941 | |
| O 2.0684948344 1.1571763319 -0.5426786017 | |
| O 2.8994464534 -0.7397211992 0.2814432207 | |
| H 3.7513401447 -0.3501410281 0.0281987934 | |
| H 0.3327819165 -1.2786922095 -0.4446759865 | |
| H 0.6377326307 -1.0353369321 1.2689385473 | |
| H -0.3326551300 1.2773073972 -0.4495272398 | |
| H -0.6383262062 1.0403999748 1.2648727803 | |
| 14 | |
| -27.91055613 | |
| C -1.7569017783 -0.1318012507 0.0362150590 | |
| O -1.7500889178 -1.1893459884 0.6053326132 | |
| O -2.8229205252 0.6755220625 0.0241669985 | |
| H -3.5475861840 0.2902930235 0.5417345786 | |
| C -0.6107777808 0.4577099339 -0.7485212858 | |
| C 0.6106167064 -0.4553871180 -0.7501268365 | |
| C 1.7570369505 0.1318614242 0.0359120752 | |
| O 1.7511642184 1.1887298241 0.6063017058 | |
| O 2.8219353816 -0.6769123095 0.0237535440 | |
| H 3.5467939930 -0.2932805161 0.5422223304 | |
| H 0.9693890397 -0.6674527590 -1.7572058791 | |
| H 0.3531649633 -1.4120512429 -0.2855135543 | |
| H -0.9698773433 0.6730629582 -1.7547782859 | |
| H -0.3530069470 1.4128805570 -0.2809809319 | |
| 14 | |
| -27.90980729 | |
| C -1.4844029787 -0.1135121887 0.1482098006 | |
| O -1.4094230006 -0.0724087279 1.3452777357 | |
| O -2.4027963574 0.5669436661 -0.5445056921 | |
| H -2.9631739583 1.0872181881 0.0528478462 | |
| C -0.6063673151 -0.9457625784 -0.7583228474 | |
| C 0.7644030856 -1.1731081652 -0.1325098686 | |
| C 1.6005291691 0.0808129115 -0.0353357422 | |
| O 2.7603954596 0.1004241091 0.2749494981 | |
| O 0.9179649820 1.1938353850 -0.3285376075 | |
| H 1.4862452872 1.9723687730 -0.2171963660 | |
| H 1.3365973425 -1.9174369360 -0.6875557309 | |
| H 0.6400388175 -1.5425732471 0.8893577214 | |
| H -1.1074170206 -1.9059900146 -0.9023184379 | |
| H -0.5345634775 -0.4489495169 -1.7251074518 | |
| 14 | |
| -27.90965979 | |
| C 1.5385527193 0.0462975358 0.0238957240 | |
| O 2.4341605421 -0.4817322668 -0.5732300192 | |
| O 1.2424078826 -0.2558524343 1.2946707397 | |
| H 1.8081786299 -0.9822753443 1.5989461459 | |
| C 0.6752138514 1.1592591133 -0.5294121418 | |
| C -0.7245312543 1.1763854459 0.0733159014 | |
| C -1.4242536238 -0.1446750420 -0.1352678325 | |
| O -0.9224171659 -1.1414711675 -0.5753490335 | |
| O -2.7069696528 -0.0855411935 0.2440325634 | |
| H -3.1382132759 -0.9455108884 0.1177472495 | |
| H -1.3327195709 1.9662907831 -0.3691857180 | |
| H -0.6783146720 1.3523826246 1.1498286696 | |
| H 1.1828814376 2.1026456718 -0.3161789918 | |
| H 0.6348493269 1.0312807883 -1.6115488575 | |
| 14 | |
| -27.90934755 | |
| C 1.8946954628 -0.0521686392 -0.0201639787 | |
| O 2.1635583853 -1.0586167086 -0.6156326147 | |
| O 2.8291003322 0.7732951825 0.4667055731 | |
| H 3.7177571368 0.4421695459 0.2609632058 | |
| C 0.5049335060 0.4639481978 0.2615980940 | |
| C -0.5445321502 -0.6265208652 0.0639545301 | |
| C -1.9540147988 -0.0926298312 0.0307743130 | |
| O -2.9009184354 -0.6136138903 0.5528112313 | |
| O -2.0613548117 1.0395707371 -0.6788000952 | |
| H -2.9850644910 1.3347344719 -0.6994304002 | |
| H -0.4807150928 -1.3821187817 0.8471014841 | |
| H -0.3558444204 -1.1224496840 -0.8926063798 | |
| H 0.4801643632 0.8697141484 1.2734134667 | |
| H 0.3201550951 1.2884037017 -0.4314333945 | |
| 14 | |
| -27.90912641 | |
| C -1.4052802103 -0.0622124925 0.2597972220 | |
| O -1.4500375893 -1.0023478289 1.0039854918 | |
| O -2.0568643809 -0.0225364499 -0.9046439490 | |
| H -2.5164754302 -0.8607508956 -1.0696239622 | |
| C -0.6053661513 1.2003523857 0.4962214916 | |
| C 0.6025796283 1.2181445365 -0.4540599994 | |
| C 1.4061848394 -0.0496483567 -0.2620417996 | |
| O 1.4627141599 -0.9578496515 -1.0441769108 | |
| O 2.0465938899 -0.0552539990 0.9092232103 | |
| H 2.5080672307 -0.8978238344 1.0439587269 | |
| H 1.2309828477 2.0783871844 -0.2241633970 | |
| H 0.2657967378 1.2651550234 -1.4893512508 | |
| H -1.2360019621 2.0664295588 0.2964494244 | |
| H -0.2681372609 1.2117622088 1.5323535311 | |
| 14 | |
| -27.90897307 | |
| C -1.5068693520 -0.0561205675 -0.1311111325 | |
| O -2.5284709047 -0.0941704743 0.4956254779 | |
| O -0.9343572060 -1.1446413972 -0.6569302499 | |
| H -1.4313824693 -1.9433577260 -0.4190233521 | |
| C -0.6946973874 1.1874833874 -0.4138046483 | |
| C 0.5295606083 1.2199401370 0.5141008250 | |
| C 1.4229511406 0.0262122882 0.2583229739 | |
| O 1.6545549571 -0.8496368114 1.0448095215 | |
| O 1.9511977909 0.0585601638 -0.9688626873 | |
| H 2.4920404397 -0.7307412376 -1.1259711575 | |
| H 0.2167142202 1.2057273006 1.5583351605 | |
| H 1.1011899673 2.1274639831 0.3156975586 | |
| H -0.3616801972 1.1681617579 -1.4516267587 | |
| H -1.3177143370 2.0626782222 -0.2336204155 | |
| 14 | |
| -27.90883608 | |
| C -1.4652323373 -0.0622581782 -0.2092149457 | |
| O -1.8806650210 0.6407138481 -1.0874889761 | |
| O -1.7935030721 0.0986617044 1.0740893365 | |
| H -2.3263401261 0.9007772899 1.1865659279 | |
| C -0.5499292297 -1.2528323790 -0.4140940890 | |
| C 0.7103712518 -1.1342529612 0.4527148792 | |
| C 1.3997235515 0.1792547155 0.1607458312 | |
| O 0.9521065026 1.2637292052 0.4140447559 | |
| O 2.5814174645 0.0035243969 -0.4370442640 | |
| H 2.9970774985 0.8578785799 -0.6363088531 | |
| H 1.3937444255 -1.9562393256 0.2453923318 | |
| H 0.4225869479 -1.1417338475 1.5048950691 | |
| H -1.0952983999 -2.1554467425 -0.1337109577 | |
| H -0.2904919173 -1.3061347374 -1.4716725419 | |
| 14 | |
| -27.90867011 | |
| C 1.5737459000 0.0917579703 0.0107220473 | |
| O 2.7737495000 0.1321986394 0.0125327557 | |
| O 0.8159336307 1.1929944308 -0.0187518823 | |
| H 1.3700798412 1.9887557604 -0.0511482134 | |
| C 0.7557612591 -1.1768964091 0.0696304890 | |
| C -0.5682520618 -1.0760428785 -0.6860301894 | |
| C -1.5143482203 -0.0588104576 -0.0880801486 | |
| O -2.2071623906 0.6893177426 -0.7196479081 | |
| O -1.5459203286 -0.1154473269 1.2490305214 | |
| H -2.1633176676 0.5473507238 1.5945968719 | |
| H -1.0730953524 -2.0443591682 -0.6491608982 | |
| H -0.4067163730 -0.8122394092 -1.7313635397 | |
| H 1.3660955480 -1.9893833797 -0.3253852914 | |
| H 0.5584044204 -1.3805254884 1.1251786693 | |
| 14 | |
| -27.90856590 | |
| C 1.5310214088 0.0124494936 0.0819620146 | |
| O 2.5462396014 0.3243503295 -0.4776805072 | |
| O 1.0364729093 0.7084312022 1.1119175443 | |
| H 1.6045537863 1.4705154854 1.3057452329 | |
| C 0.6997439081 -1.1998555728 -0.2692866988 | |
| C -0.6957835452 -1.1834317174 0.3420251494 | |
| C -1.5298558588 0.0038172201 -0.0810262104 | |
| O -2.5351839734 0.3585137688 0.4709281349 | |
| O -1.0509895460 0.6219739968 -1.1666979114 | |
| H -1.6206811277 1.3699625584 -1.4054212797 | |
| H -0.6488760898 -1.1759133354 1.4317791381 | |
| H -1.2412603521 -2.0815580050 0.0418350458 | |
| H 0.6523625231 -1.2567645862 -1.3576331456 | |
| H 1.2477565263 -2.0774244282 0.0824998850 | |
| 14 | |
| -27.90813576 | |
| C 1.9350374648 0.1089035031 -0.0601519534 | |
| O 2.8535982237 0.6411114729 -0.6202596911 | |
| O 2.0974315033 -0.9635003184 0.7248131054 | |
| H 3.0333084540 -1.2166011202 0.7575976035 | |
| C 0.5007337027 0.5753428324 -0.1247659146 | |
| C -0.5012903502 -0.5779238042 -0.1180571667 | |
| C -1.9349511529 -0.1088077265 -0.0591143658 | |
| O -2.8519789942 -0.6357080536 -0.6266337043 | |
| O -2.0985678934 0.9602970511 0.7302573295 | |
| H -3.0338570783 1.2159550050 0.7591462002 | |
| H -0.3301944497 -1.2012126655 0.7632209230 | |
| H -0.3868439845 -1.2056055161 -1.0023710336 | |
| H 0.3294486755 1.2092462446 0.7489971293 | |
| H 0.3860787128 1.1929085638 -1.0162246516 | |
| 14 | |
| -27.90793380 | |
| C -1.9284260613 -0.1388204542 0.0712393548 | |
| O -2.8394301704 -0.8764083552 0.3319653310 | |
| O -2.1149611890 1.0824147406 -0.4378062222 | |
| H -3.0626804580 1.2594923846 -0.5481097251 | |
| C -0.4729022303 -0.4829176209 0.2867269438 | |
| C 0.4988982077 0.5675608205 -0.2553394641 | |
| C 1.9113527364 0.1188819893 0.0329505271 | |
| O 2.5527293455 0.4100709211 1.0042775969 | |
| O 2.3771534826 -0.6899628567 -0.9259101427 | |
| H 3.2750196929 -0.9917473808 -0.7152104753 | |
| H 0.3234686466 1.5244707782 0.2345249033 | |
| H 0.3680648343 0.6739944764 -1.3314549553 | |
| H -0.3279459321 -0.6112578864 1.3628870663 | |
| H -0.2932084422 -1.4531705464 -0.1821796082 | |
| 14 | |
| -27.90764692 | |
| C 1.7038869232 0.0101201025 0.0090129178 | |
| O 2.7576193855 -0.4133840458 -0.3747174856 | |
| O 1.3524468831 1.2794799147 -0.1599040287 | |
| H 0.4388795992 1.4622832398 0.1535182904 | |
| C 0.6824030107 -0.8743852356 0.7285194280 | |
| C -0.5888674346 -1.1082495083 -0.0970335627 | |
| C -1.5721993221 0.0294647318 -0.0121533295 | |
| O -1.3080514163 1.1522581364 0.3507757617 | |
| O -2.7935650512 -0.3312120952 -0.3824626301 | |
| H -3.4109146791 0.4175142653 -0.3387677331 | |
| H -1.1005547747 -2.0140839086 0.2327608475 | |
| H -0.3356698168 -1.2506024820 -1.1516934836 | |
| H 1.1656941371 -1.8317398591 0.9224092964 | |
| H 0.4244810733 -0.4100066458 1.6834466543 | |