smiles stringlengths 10 765 | coords listlengths 6 330 | energy listlengths 1 1 | forces listlengths 6 330 |
|---|---|---|---|
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.5562089681625366,
-1.893319010734558,
-0.7219200134277344,
1.101539969444275,
-0.9669399857521057,
0.3551500141620636,
-0.9464300274848938,
-0.49601998925209045,
-0.2735599875450134,
0.34521999955177307,
0.5979999899864197,
-0.8601300120353699,
-0.19122999906539917,
0.6799... | [
-122693.078125
] | [
-1.7394216060638428,
10.07435131072998,
-14.612220764160156,
-10.353649139404297,
-8.286198616027832,
-26.449626922607422,
12.06494140625,
0.15944312512874603,
42.607662200927734,
8.656764030456543,
3.615976333618164,
2.2612836360931396,
-9.351906776428223,
0.5800301432609558,
4.16708993... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.9538789987564087,
1.2468700408935547,
-0.9482200145721436,
-1.0829399824142456,
0.012400000356137753,
-1.0819599628448486,
-0.43081000447273254,
-0.4204599857330322,
0.924239993095398,
0.3958500027656555,
1.0053000450134277,
0.22199000418186188,
0.8354200124740601,
-0.643... | [
-122691.6015625
] | [
12.70163345336914,
0.6630150675773621,
-4.1477460861206055,
-18.39760971069336,
-4.884956359863281,
2.6386260986328125,
15.144980430603027,
-6.918413162231445,
0.687106192111969,
6.093276023864746,
5.5671892166137695,
-5.6919660568237305,
-1.1678463220596313,
-8.983107566833496,
-2.63258... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.09371999651193619,
-1.275068998336792,
2.2166390419006348,
-0.8820300102233887,
-0.5855799913406372,
1.0928800106048584,
0.846340000629425,
0.5089499950408936,
0.4912000000476837,
-0.5900300145149231,
0.7511199712753296,
-0.5516300201416016,
0.4004000127315521,
-0.7319599... | [
-122690.8515625
] | [
13.813220024108887,
4.8460164070129395,
-2.1659128665924072,
1.845254898071289,
-17.796009063720703,
-21.896961212158203,
-11.395858764648438,
34.61905288696289,
5.2642083168029785,
-4.060516834259033,
0.056704774498939514,
-10.154833793640137,
9.084484100341797,
-6.498842239379883,
0.91... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.5562089681625366,
-1.893319010734558,
-0.7219200134277344,
1.101539969444275,
-0.9669399857521057,
0.3551500141620636,
-0.9464300274848938,
-0.49601998925209045,
-0.2735599875450134,
0.34521999955177307,
0.5979999899864197,
-0.8601300120353699,
-0.19122999906539917,
0.6799... | [
-122694.2421875
] | [
-0.4986425042152405,
11.330187797546387,
-13.954374313354492,
-10.094846725463867,
-8.311617851257324,
-26.24425506591797,
11.531241416931152,
0.7555838227272034,
43.05870056152344,
8.558913230895996,
3.420339584350586,
2.28303861618042,
-9.288741111755371,
0.3818723261356354,
4.48754739... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.5562089681625366,
-1.893319010734558,
-0.7219200134277344,
1.101539969444275,
-0.9669399857521057,
0.3551500141620636,
-0.9464300274848938,
-0.49601998925209045,
-0.2735599875450134,
0.34521999955177307,
0.5979999899864197,
-0.8601300120353699,
-0.19122999906539917,
0.6799... | [
-122693.9609375
] | [
-0.6796568632125854,
11.952234268188477,
-13.328067779541016,
-10.055634498596191,
-8.451056480407715,
-26.081764221191406,
11.464677810668945,
0.9861667156219482,
43.14675521850586,
8.57554817199707,
2.996096611022949,
2.0912084579467773,
-9.231101036071777,
0.2663283050060272,
4.770130... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.2878990173339844,
-0.6735900044441223,
0.9523400068283081,
-0.9070199728012085,
-1.1690700054168701,
0.4074699878692627,
1.0076500177383423,
-0.35357001423835754,
-0.2761099934577942,
0.09730000048875809,
0.7421299815177917,
0.8101699948310852,
-0.4521700143814087,
0.4934... | [
-122693.734375
] | [
-1.8569719791412354,
-2.5168137550354004,
-3.282287359237671,
13.71772289276123,
-8.598729133605957,
2.7369093894958496,
-14.906968116760254,
4.484379291534424,
-6.23029088973999,
-8.265961647033691,
4.679840564727783,
1.593902349472046,
-0.3548118770122528,
-5.987868785858154,
-6.238484... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.1391099691390991,
-2.2939889430999756,
0.30445998907089233,
-0.09826000034809113,
-1.4863790273666382,
0.35175999999046326,
0.9396600127220154,
0.3787800073623657,
0.43608999252319336,
-0.8200600147247314,
0.6795499920845032,
0.2869200110435486,
0.09431000053882599,
0.0067... | [
-122691.2109375
] | [
26.795730590820312,
-3.8649725914001465,
-8.49975299835205,
33.32998275756836,
-2.311060905456543,
-3.593911647796631,
-61.37589645385742,
3.1185550689697266,
5.948888301849365,
-7.43766975402832,
5.511264324188232,
-5.129541873931885,
4.072175979614258,
-16.042573928833008,
0.6240549087... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.414928913116455,
-0.7803400158882141,
0.4942600131034851,
-1.09211003780365,
-1.0643689632415771,
-0.32363998889923096,
0.45210000872612,
-0.22899000346660614,
0.9796800017356873,
-0.393449991941452,
1.0300999879837036,
0.026249999180436134,
0.7857400178909302,
-0.0569199... | [
-122681.6328125
] | [
-7.601795673370361,
-16.098981857299805,
-7.155144691467285,
14.48201847076416,
16.42659568786621,
-22.628623962402344,
-23.05997657775879,
4.575029373168945,
16.275634765625,
-19.09379005432129,
25.079421997070312,
-14.028502464294434,
-1.7245798110961914,
-11.255738258361816,
-0.749084... |
[H:2][C:1]([H:3])([H:4])[H:5].[H:9][C:7]([H:10])([H:11])[O:6][C:8]([H:12])([H:13])[H:14] | [
1.2008600234985352,
0.42076000571250916,
3.044589042663574,
1.2889699935913086,
0.3703399896621704,
1.9492889642715454,
0.5129899978637695,
-0.36348000168800354,
3.393599033355713,
0.8106200098991394,
1.4070489406585693,
3.3360390663146973,
2.190869092941284,
0.2691200077533722,
3.499449... | [
-122677.609375
] | [
1.499143362045288,
-0.5983368158340454,
-0.7086549401283264,
0.29015618562698364,
-0.5243854522705078,
11.080759048461914,
5.583414554595947,
6.367556571960449,
-2.1072442531585693,
3.0596210956573486,
-7.758087158203125,
-1.0752372741699219,
-8.516134262084961,
1.4655574560165405,
-2.88... |
[H:2][C:1]([H:3])([H:4])[H:5].[H:9][C:7]([H:10])([H:11])[O:6][C:8]([H:12])([H:13])[H:14] | [
1.017300009727478,
0.5249099731445312,
2.4829390048980713,
1.1054099798202515,
0.4744899868965149,
1.3876290321350098,
0.3294300138950348,
-0.2593199908733368,
2.8319389820098877,
0.62704998254776,
1.5111989974975586,
2.774379014968872,
2.0073089599609375,
0.37327998876571655,
2.93778896... | [
-122663.8515625
] | [
10.982513427734375,
-4.734978675842285,
15.888784408569336,
8.622479438781738,
-5.640406608581543,
32.19913864135742,
6.420444011688232,
5.831606864929199,
0.7510741353034973,
3.1210381984710693,
-8.90800952911377,
2.859792470932007,
-8.241138458251953,
1.7842942476272583,
0.486987054347... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.1052700281143188,
-0.8386600017547607,
2.2654991149902344,
0.20336000621318817,
-0.42897000908851624,
1.4801290035247803,
-0.08876000344753265,
-0.9081500172615051,
-0.6196699738502502,
0.8576899766921997,
0.5910400152206421,
-0.3628300130367279,
-0.9174500107765198,
0.60... | [
-122692.5390625
] | [
-4.7454447746276855,
-19.742874145507812,
5.01609992980957,
14.604472160339355,
12.801809310913086,
-20.882719039916992,
-2.9090254306793213,
6.162563800811768,
7.293121814727783,
-1.4197918176651,
9.96638011932373,
-0.9809585809707642,
-8.725028991699219,
-6.704549312591553,
3.128045320... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.7727000117301941,
-1.2333489656448364,
2.177198886871338,
0.2059600055217743,
-1.1715099811553955,
0.9391400218009949,
0.803659975528717,
0.0035200000274926424,
-0.7554600238800049,
0.01496999990195036,
0.964959979057312,
0.5340800285339355,
-0.9688599705696106,
-0.100699... | [
-122694.375
] | [
-10.24231243133545,
2.039947748184204,
-8.721282005310059,
16.071441650390625,
-0.4002525508403778,
-18.564353942871094,
2.0322933197021484,
-1.996901273727417,
23.724245071411133,
-8.683645248413086,
2.8278629779815674,
4.465778350830078,
-0.13048182427883148,
-8.19979476928711,
-4.2848... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
2.085458993911743,
1.3475300073623657,
0.7588000297546387,
0.5777000188827515,
1.333338975906372,
0.539650022983551,
-1.0717699527740479,
0.16027000546455383,
-0.2055100053548813,
0.10166999697685242,
-0.8509799838066101,
0.6943399906158447,
0.5052800178527832,
-0.2558900117... | [
-122690.359375
] | [
3.6261422634124756,
7.32690954208374,
3.8870489597320557,
4.320843696594238,
-17.786100387573242,
-10.062270164489746,
-16.468366622924805,
11.803641319274902,
-5.636624813079834,
9.608335494995117,
-6.488442897796631,
1.6744112968444824,
4.786131381988525,
10.335831642150879,
-10.334808... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.5562089681625366,
-1.893319010734558,
-0.7219200134277344,
1.101539969444275,
-0.9669399857521057,
0.3551500141620636,
-0.9464300274848938,
-0.49601998925209045,
-0.2735599875450134,
0.34521999955177307,
0.5979999899864197,
-0.8601300120353699,
-0.19122999906539917,
0.6799... | [
-122693.59375
] | [
-1.1095787286758423,
12.239956855773926,
-12.713743209838867,
-10.124832153320312,
-8.588062286376953,
-25.97869300842285,
11.608842849731445,
1.1805951595306396,
43.01714324951172,
8.58741283416748,
2.6008317470550537,
1.8874962329864502,
-9.163715362548828,
0.2564100921154022,
4.969504... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.5562089681625366,
-1.893319010734558,
-0.7219200134277344,
1.101539969444275,
-0.9669399857521057,
0.3551500141620636,
-0.9464300274848938,
-0.49601998925209045,
-0.2735599875450134,
0.34521999955177307,
0.5979999899864197,
-0.8601300120353699,
-0.19122999906539917,
0.6799... | [
-122694.1171875
] | [
-0.5335353016853333,
11.81760311126709,
-13.531427383422852,
-10.046481132507324,
-8.402198791503906,
-26.122314453125,
11.43914794921875,
0.9305019378662109,
43.15465545654297,
8.562403678894043,
3.1315696239471436,
2.1617720127105713,
-9.249720573425293,
0.2861386239528656,
4.697259902... |
[H:2][C:1]([H:3])([H:4])[H:5].[H:10][C:7]([H:11])([H:12])[C:8]([H:13])([H:14])[O:6][H:9] | [
1.289330005645752,
0.8785399794578552,
0.08088000118732452,
2.210038900375366,
1.4794590473175049,
0.04639999940991402,
1.1414999961853027,
0.3782599866390228,
-0.8875499963760376,
0.4311400055885315,
1.5342190265655518,
0.28964999318122864,
1.374650001525879,
0.12221000343561172,
0.8750... | [
-122683.703125
] | [
-2.0488083362579346,
-4.9377055168151855,
-9.221495628356934,
-14.405590057373047,
-10.806941032409668,
-5.090823173522949,
-1.1060709953308105,
2.9145026206970215,
7.941010475158691,
4.908956527709961,
-5.693574905395508,
-2.4904019832611084,
-3.5046300888061523,
5.197484493255615,
-7.7... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
2.085458993911743,
1.3475300073623657,
0.7588000297546387,
0.5777000188827515,
1.333338975906372,
0.539650022983551,
-1.0717699527740479,
0.16027000546455383,
-0.2055100053548813,
0.10166999697685242,
-0.8509799838066101,
0.6943399906158447,
0.5052800178527832,
-0.2558900117... | [
-122692.1015625
] | [
2.564728021621704,
6.4307146072387695,
8.106008529663086,
4.39948034286499,
-17.864883422851562,
-9.457413673400879,
-15.974281311035156,
11.83037281036377,
-7.479248523712158,
9.048056602478027,
-6.017897129058838,
0.4804638624191284,
0.6288622617721558,
7.866569519042969,
-4.4979248046... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.9538789987564087,
1.2468700408935547,
-0.9482200145721436,
-1.0829399824142456,
0.012400000356137753,
-1.0819599628448486,
-0.43081000447273254,
-0.4204599857330322,
0.924239993095398,
0.3958500027656555,
1.0053000450134277,
0.22199000418186188,
0.8354200124740601,
-0.643... | [
-122685.984375
] | [
7.49450159072876,
-3.2819814682006836,
-4.934181213378906,
-18.699810028076172,
-5.0543951988220215,
2.0956873893737793,
14.431676864624023,
-6.30015230178833,
2.200328826904297,
4.6907639503479,
5.596863269805908,
-5.397727966308594,
-0.4358295500278473,
-10.306875228881836,
-3.22984933... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.9538789987564087,
1.2468700408935547,
-0.9482200145721436,
-1.0829399824142456,
0.012400000356137753,
-1.0819599628448486,
-0.43081000447273254,
-0.4204599857330322,
0.924239993095398,
0.3958500027656555,
1.0053000450134277,
0.22199000418186188,
0.8354200124740601,
-0.643... | [
-122691.625
] | [
12.824335098266602,
0.7746933102607727,
-4.066409111022949,
-18.384443283081055,
-4.872289657592773,
2.6780357360839844,
15.170210838317871,
-6.932622909545898,
0.5815337300300598,
6.166602611541748,
5.593800067901611,
-5.698531627655029,
-1.3054300546646118,
-8.846308708190918,
-2.56478... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.1417789459228516,
1.4093990325927734,
-0.04089999943971634,
-1.4105490446090698,
0.1647000014781952,
-0.5520899891853333,
0.4480400085449219,
-1.0026899576187134,
-0.10238000005483627,
0.13186000287532806,
0.33963000774383545,
1.0410900115966797,
0.5367500185966492,
0.694... | [
-122689.015625
] | [
7.249329566955566,
10.920966148376465,
-17.613901138305664,
-5.887147426605225,
11.469832420349121,
-12.675729751586914,
-29.867048263549805,
-6.951551914215088,
20.068790435791016,
-7.933180809020996,
8.67069149017334,
-1.6180291175842285,
-6.421375274658203,
-3.4318621158599854,
-9.378... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.5669490098953247,
1.7522989511489868,
0.8309699892997742,
-1.1438490152359009,
0.19912999868392944,
1.0367900133132935,
-0.37953999638557434,
0.09103000164031982,
-1.031630039215088,
0.23113000392913818,
-1.0602600574493408,
0.19755999743938446,
0.9312800168991089,
0.5848... | [
-122683.1953125
] | [
-25.33460235595703,
-47.84727478027344,
-4.0761518478393555,
-16.495662689208984,
-38.20721435546875,
9.819340705871582,
42.40806198120117,
76.3974380493164,
4.187798023223877,
5.199313163757324,
-1.2910709381103516,
7.030762672424316,
14.235198974609375,
4.769363880157471,
-17.272298812... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.0999900102615356,
2.3031489849090576,
0.34828999638557434,
-1.3008699417114258,
0.7688900232315063,
0.4380599856376648,
0.17826999723911285,
0.1840900033712387,
-1.0728199481964111,
-0.2506900131702423,
-1.0653300285339355,
0.13725000619888306,
0.9291899800300598,
0.21689... | [
-122692.65625
] | [
-28.885276794433594,
-7.609294891357422,
2.0653669834136963,
-10.982745170593262,
-6.767165184020996,
6.255146503448486,
25.087865829467773,
12.09833812713623,
-12.907551765441895,
0.47252121567726135,
-2.131516933441162,
9.537826538085938,
11.675633430480957,
4.892248153686523,
-5.22641... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.5562089681625366,
-1.893319010734558,
-0.7219200134277344,
1.101539969444275,
-0.9669399857521057,
0.3551500141620636,
-0.9464300274848938,
-0.49601998925209045,
-0.2735599875450134,
0.34521999955177307,
0.5979999899864197,
-0.8601300120353699,
-0.19122999906539917,
0.6799... | [
-122693.6875
] | [
-0.9841792583465576,
12.146644592285156,
-12.931947708129883,
-10.095235824584961,
-8.542265892028809,
-26.015628814697266,
11.549010276794434,
1.1001003980636597,
43.07835006713867,
8.591931343078613,
2.7374134063720703,
1.9547014236450195,
-9.189068794250488,
0.25336727499961853,
4.901... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.414928913116455,
-0.7803400158882141,
0.4942600131034851,
-1.09211003780365,
-1.0643689632415771,
-0.32363998889923096,
0.45210000872612,
-0.22899000346660614,
0.9796800017356873,
-0.393449991941452,
1.0300999879837036,
0.026249999180436134,
0.7857400178909302,
-0.0569199... | [
-122691.125
] | [
0.21839028596878052,
-23.83823585510254,
-2.3015921115875244,
14.782722473144531,
16.408912658691406,
-22.59595489501953,
-22.969642639160156,
3.7717089653015137,
15.367859840393066,
-1.9749826192855835,
6.462026119232178,
-7.396608352661133,
-0.155962735414505,
-11.24046516418457,
-1.20... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.1417789459228516,
1.4093990325927734,
-0.04089999943971634,
-1.4105490446090698,
0.1647000014781952,
-0.5520899891853333,
0.4480400085449219,
-1.0026899576187134,
-0.10238000005483627,
0.13186000287532806,
0.33963000774383545,
1.0410900115966797,
0.5367500185966492,
0.694... | [
-122688.7578125
] | [
7.210521221160889,
10.836261749267578,
-17.688676834106445,
-5.6961236000061035,
10.960451126098633,
-12.38906478881836,
-29.82613754272461,
-6.737282752990723,
19.923725128173828,
-7.87686824798584,
8.671442031860352,
-1.5930616855621338,
-6.421451091766357,
-3.4475066661834717,
-9.3412... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.7885589599609375,
-1.4042190313339233,
-1.0606889724731445,
-0.4836300015449524,
-1.4325790405273438,
-0.14555999636650085,
0.4937100112438202,
0.4273099899291992,
-0.8889700174331665,
0.7580299973487854,
-0.14427000284194946,
0.7881600260734558,
-0.7532899975776672,
0.71... | [
-122689.6171875
] | [
33.3560905456543,
-5.285492420196533,
16.306068420410156,
12.989114761352539,
-21.547542572021484,
23.36638641357422,
-42.902591705322266,
11.142353057861328,
-30.485034942626953,
-6.457300662994385,
-6.634546756744385,
5.714295864105225,
2.1128177642822266,
22.955324172973633,
-4.970986... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.7727000117301941,
-1.2333489656448364,
2.177198886871338,
0.2059600055217743,
-1.1715099811553955,
0.9391400218009949,
0.803659975528717,
0.0035200000274926424,
-0.7554600238800049,
0.01496999990195036,
0.964959979057312,
0.5340800285339355,
-0.9688599705696106,
-0.100699... | [
-122693.953125
] | [
-10.339134216308594,
2.1560847759246826,
-8.43306827545166,
15.403706550598145,
0.01275824848562479,
-18.431663513183594,
2.08418607711792,
-2.769829034805298,
23.2105712890625,
-8.63308334350586,
2.810323476791382,
4.488915920257568,
-0.10631833970546722,
-8.018733024597168,
-4.33427810... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.7885589599609375,
-1.4042190313339233,
-1.0606889724731445,
-0.4836300015449524,
-1.4325790405273438,
-0.14555999636650085,
0.4937100112438202,
0.4273099899291992,
-0.8889700174331665,
0.7580299973487854,
-0.14427000284194946,
0.7881600260734558,
-0.7532899975776672,
0.71... | [
-122689.1953125
] | [
33.72236633300781,
-5.535499095916748,
16.600854873657227,
12.860383033752441,
-21.87059211730957,
24.33171272277832,
-43.053184509277344,
11.281729698181152,
-31.687292098999023,
-6.564072132110596,
-6.5907745361328125,
5.761290073394775,
2.3301751613616943,
23.091054916381836,
-4.85399... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.7885589599609375,
-1.4042190313339233,
-1.0606889724731445,
-0.4836300015449524,
-1.4325790405273438,
-0.14555999636650085,
0.4937100112438202,
0.4273099899291992,
-0.8889700174331665,
0.7580299973487854,
-0.14427000284194946,
0.7881600260734558,
-0.7532899975776672,
0.71... | [
-122689.8828125
] | [
33.42555618286133,
-5.323850154876709,
16.35772705078125,
12.866438865661621,
-21.955219268798828,
23.608779907226562,
-42.9249382019043,
11.214603424072266,
-30.638826370239258,
-6.473232269287109,
-6.629939556121826,
5.721696853637695,
2.1389639377593994,
22.97837257385254,
-4.95696783... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.5669490098953247,
1.7522989511489868,
0.8309699892997742,
-1.1438490152359009,
0.19912999868392944,
1.0367900133132935,
-0.37953999638557434,
0.09103000164031982,
-1.031630039215088,
0.23113000392913818,
-1.0602600574493408,
0.19755999743938446,
0.9312800168991089,
0.5848... | [
-122683.328125
] | [
-24.96660614013672,
-48.058387756347656,
-4.490544319152832,
-16.168699264526367,
-38.30649948120117,
9.77564525604248,
42.09113311767578,
76.612548828125,
4.385828971862793,
5.009861469268799,
-1.159346342086792,
6.941019535064697,
14.171487808227539,
4.428042888641357,
-17.099639892578... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.763670027256012,
1.354509949684143,
-2.0562291145324707,
-0.6415600180625916,
1.2609800100326538,
-0.4976699948310852,
-0.5669100284576416,
-0.8543300032615662,
-0.4066300094127655,
0.0589199997484684,
-0.10666000097990036,
1.096248984336853,
1.0228699445724487,
-0.028559... | [
-122692.984375
] | [
-0.4272821545600891,
-18.976163864135742,
-6.134673118591309,
-0.28435277938842773,
2.880894184112549,
14.889861106872559,
-5.104137897491455,
30.201749801635742,
-19.702714920043945,
8.649595260620117,
0.5823827981948853,
5.909560680389404,
-2.362489938735962,
4.670711994171143,
-10.082... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.0884389877319336,
-0.9466300010681152,
-2.1529390811920166,
0.2389100044965744,
0.1639299988746643,
-1.528359055519104,
-0.8260999917984009,
0.61353999376297,
0.3971500098705292,
0.9240599870681763,
0.2600899934768677,
0.5432100296020508,
-0.23010000586509705,
-1.062600016... | [
-122691.359375
] | [
3.079111099243164,
-10.320698738098145,
-9.819718360900879,
13.110638618469238,
25.655221939086914,
-16.218957901000977,
-22.723604202270508,
-1.9305438995361328,
29.999055862426758,
8.378418922424316,
-4.176921844482422,
-5.885929584503174,
-7.979707717895508,
-2.945734739303589,
-2.039... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0.7269200086593628,
3.469619035720825,
1.8211090564727783,
0.8156200051307678,
2.87139892578125,
4.280397891998291,
1.190119981765747,
2.4491190910339355,
2.860168933868408,
-0.369159996509552,
3.584099054336548,
1.867179036140442,
1.004770040512085,
3.150038957595825,
0.8026400208473206... | [
-122696.7265625
] | [
0.4557252526283264,
-0.3622339367866516,
-2.672386407852173,
0.7526476979255676,
-1.7189922332763672,
1.9543207883834839,
2.503350019454956,
-4.133333206176758,
-1.8384779691696167,
8.797432899475098,
0.8027545809745789,
-1.8075778484344482,
-3.365859270095825,
4.695994853973389,
7.82525... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.5669490098953247,
1.7522989511489868,
0.8309699892997742,
-1.1438490152359009,
0.19912999868392944,
1.0367900133132935,
-0.37953999638557434,
0.09103000164031982,
-1.031630039215088,
0.23113000392913818,
-1.0602600574493408,
0.19755999743938446,
0.9312800168991089,
0.5848... | [
-122683.6796875
] | [
-25.23087501525879,
-47.54216384887695,
-4.044940948486328,
-12.855360984802246,
-38.713661193847656,
9.385188102722168,
40.92262649536133,
76.11248016357422,
4.311965465545654,
5.196834564208984,
-1.2567176818847656,
7.030511379241943,
14.158188819885254,
4.688887119293213,
-17.23229408... |
[H:2][C:1]([H:3])([H:4])[H:5].[H:10][C:7]([H:11])([H:12])[C:8]([H:13])([H:14])[O:6][H:9] | [
0.8147199749946594,
0.5187600255012512,
-0.2869499921798706,
1.7354190349578857,
1.1196800470352173,
-0.3214299976825714,
0.666890025138855,
0.018489999696612358,
-1.2553800344467163,
-0.043480001389980316,
1.1744400262832642,
-0.07818000018596649,
0.9000300168991089,
-0.23757000267505646,... | [
-122689.578125
] | [
0.9749346375465393,
0.4426942765712738,
-0.6270942091941833,
-7.323053359985352,
-4.79646110534668,
0.34258368611335754,
0.7833901643753052,
3.9989821910858154,
8.301135063171387,
6.478619575500488,
-5.559170722961426,
-1.7557764053344727,
-1.0406219959259033,
5.865243911743164,
-6.38879... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.2878990173339844,
-0.6735900044441223,
0.9523400068283081,
-0.9070199728012085,
-1.1690700054168701,
0.4074699878692627,
1.0076500177383423,
-0.35357001423835754,
-0.2761099934577942,
0.09730000048875809,
0.7421299815177917,
0.8101699948310852,
-0.4521700143814087,
0.4934... | [
-122693.875
] | [
-1.473958969116211,
-2.056774616241455,
-3.1444036960601807,
14.623689651489258,
-9.308794021606445,
3.7703356742858887,
-14.20177173614502,
3.4901297092437744,
-6.3338446617126465,
-8.114387512207031,
4.199702739715576,
1.7605066299438477,
-0.41219377517700195,
-6.1717753410339355,
-6.2... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.1052700281143188,
-0.8386600017547607,
2.2654991149902344,
0.20336000621318817,
-0.42897000908851624,
1.4801290035247803,
-0.08876000344753265,
-0.9081500172615051,
-0.6196699738502502,
0.8576899766921997,
0.5910400152206421,
-0.3628300130367279,
-0.9174500107765198,
0.60... | [
-122692.1484375
] | [
-5.557140350341797,
-19.918598175048828,
4.969515323638916,
14.530031204223633,
12.93258285522461,
-20.589672088623047,
-2.4533214569091797,
6.586810111999512,
6.643208026885986,
-2.6141862869262695,
11.438166618347168,
-1.0001819133758545,
-7.709115028381348,
-6.565723896026611,
3.68766... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.2396190166473389,
-1.6066089868545532,
-1.352120041847229,
1.3406989574432373,
-0.5476700067520142,
-0.28279998898506165,
0.25172001123428345,
0.8235399723052979,
0.6892200112342834,
-0.6452900171279907,
-0.7191699743270874,
0.5319799780845642,
-0.5636699795722961,
0.41464... | [
-122688.21875
] | [
-20.561433792114258,
37.09214401245117,
29.950115203857422,
32.01129150390625,
-27.093544006347656,
-0.4263228178024292,
3.850515127182007,
-0.9183555245399475,
-14.031551361083984,
-23.05682373046875,
1.2182722091674805,
-0.10002756118774414,
5.383575439453125,
5.389413356781006,
-5.778... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.7727000117301941,
-1.2333489656448364,
2.177198886871338,
0.2059600055217743,
-1.1715099811553955,
0.9391400218009949,
0.803659975528717,
0.0035200000274926424,
-0.7554600238800049,
0.01496999990195036,
0.964959979057312,
0.5340800285339355,
-0.9688599705696106,
-0.100699... | [
-122694.1875
] | [
-11.348920822143555,
2.0176684856414795,
-7.2603349685668945,
15.201181411743164,
0.10085882246494293,
-18.470455169677734,
2.31307315826416,
-3.0153708457946777,
23.171205520629883,
-8.75008773803711,
3.4673726558685303,
3.508795738220215,
0.23952755331993103,
-8.156579971313477,
-4.648... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.5612189769744873,
-1.9418890476226807,
-0.8937299847602844,
1.4661400318145752,
-0.6244199872016907,
-0.07383999973535538,
0.08252999931573868,
1.0977599620819092,
0.06866999715566635,
-0.6242200136184692,
-0.3588300049304962,
0.8355799913406372,
-0.5008100271224976,
-0.25... | [
-122692.59375
] | [
26.362871170043945,
-7.234089374542236,
-14.11468505859375,
-7.544710636138916,
10.55665397644043,
6.206723690032959,
-13.299367904663086,
-0.9458227157592773,
6.108053684234619,
-3.9794137477874756,
-10.252824783325195,
0.4604649841785431,
10.466958045959473,
-0.7228575348854065,
-7.483... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.6029700040817261,
-2.1710290908813477,
-1.2504090070724487,
0.3350200057029724,
-0.9930300116539001,
-1.144199013710022,
0.8378599882125854,
0.7103700041770935,
-0.09990999847650528,
0.07202000170946121,
-0.49277999997138977,
0.9841700196266174,
-0.9467200040817261,
0.564... | [
-122692.578125
] | [
29.40380859375,
-7.853818416595459,
-3.9842875003814697,
-15.461160659790039,
-2.348172187805176,
5.857624053955078,
-2.7698941230773926,
8.830660820007324,
-7.932580471038818,
-12.06728744506836,
4.073355674743652,
14.172942161560059,
-0.7735134363174438,
5.522782325744629,
-6.871945381... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.5612189769744873,
-1.9418890476226807,
-0.8937299847602844,
1.4661400318145752,
-0.6244199872016907,
-0.07383999973535538,
0.08252999931573868,
1.0977599620819092,
0.06866999715566635,
-0.6242200136184692,
-0.3588300049304962,
0.8355799913406372,
-0.5008100271224976,
-0.25... | [
-122692.078125
] | [
26.218027114868164,
-7.779382228851318,
-14.331042289733887,
-8.710471153259277,
10.405755996704102,
6.2266621589660645,
-12.553009033203125,
-0.6716644763946533,
7.235321521759033,
-3.8259437084198,
-10.127577781677246,
0.317603200674057,
10.54338550567627,
-0.7684760689735413,
-7.47044... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.763670027256012,
1.354509949684143,
-2.0562291145324707,
-0.6415600180625916,
1.2609800100326538,
-0.4976699948310852,
-0.5669100284576416,
-0.8543300032615662,
-0.4066300094127655,
0.0589199997484684,
-0.10666000097990036,
1.096248984336853,
1.0228699445724487,
-0.028559... | [
-122693.4453125
] | [
-0.6135426163673401,
-19.063350677490234,
-4.960022449493408,
-0.46591976284980774,
2.7900850772857666,
14.776368141174316,
-4.749873638153076,
29.937583923339844,
-19.86534881591797,
8.612279891967773,
0.43298476934432983,
5.4238481521606445,
-2.5546793937683105,
5.66944694519043,
-10.2... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.1391099691390991,
-2.2939889430999756,
0.30445998907089233,
-0.09826000034809113,
-1.4863790273666382,
0.35175999999046326,
0.9396600127220154,
0.3787800073623657,
0.43608999252319336,
-0.8200600147247314,
0.6795499920845032,
0.2869200110435486,
0.09431000053882599,
0.0067... | [
-122691.46875
] | [
25.780479431152344,
-3.5990960597991943,
-8.249430656433105,
33.074649810791016,
-3.1288955211639404,
-3.8437273502349854,
-59.99742126464844,
3.625490188598633,
7.052864074707031,
-7.1274566650390625,
5.183804988861084,
-5.195410251617432,
3.893932819366455,
-16.658811569213867,
0.49919... |
[H:2][C:1]([H:3])([H:4])[H:5].[H:10][C:7]([H:11])([H:12])[C:8]([H:13])([H:14])[O:6][H:9] | [
0.7469099760055542,
0.4673599898815155,
-0.33948999643325806,
1.667618989944458,
1.0682799816131592,
-0.37397998571395874,
0.5990800261497498,
-0.032910000532865524,
-1.3079290390014648,
-0.11128000169992447,
1.1230499744415283,
-0.13073000311851501,
0.8322299718856812,
-0.2889699935913086... | [
-122689.5625
] | [
0.9068483114242554,
0.5002812743186951,
-0.3633165955543518,
-7.173509120941162,
-4.674895286560059,
0.4498293399810791,
0.8834153413772583,
4.055398941040039,
8.306260108947754,
6.575864791870117,
-5.563198566436768,
-1.7509667873382568,
-0.9896945357322693,
5.921657085418701,
-6.416226... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.1391099691390991,
-2.2939889430999756,
0.30445998907089233,
-0.09826000034809113,
-1.4863790273666382,
0.35175999999046326,
0.9396600127220154,
0.3787800073623657,
0.43608999252319336,
-0.8200600147247314,
0.6795499920845032,
0.2869200110435486,
0.09431000053882599,
0.0067... | [
-122691.4296875
] | [
26.469419479370117,
-3.7084407806396484,
-8.450798988342285,
33.12776184082031,
-3.2911217212677,
-3.499880790710449,
-60.86146545410156,
3.4934098720550537,
5.871758937835693,
-7.584358215332031,
5.369039535522461,
-5.156937599182129,
4.0906853675842285,
-15.895699501037598,
0.647030234... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.0884389877319336,
-0.9466300010681152,
-2.1529390811920166,
0.2389100044965744,
0.1639299988746643,
-1.528359055519104,
-0.8260999917984009,
0.61353999376297,
0.3971500098705292,
0.9240599870681763,
0.2600899934768677,
0.5432100296020508,
-0.23010000586509705,
-1.062600016... | [
-122690.7265625
] | [
2.7520878314971924,
-9.564291954040527,
-9.447842597961426,
13.543889045715332,
26.2551326751709,
-16.56623077392578,
-23.576875686645508,
-3.0431997776031494,
30.32101821899414,
8.142019271850586,
-3.970256805419922,
-6.364133358001709,
-8.325570106506348,
-4.039798259735107,
-2.0811657... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.2396190166473389,
-1.6066089868545532,
-1.352120041847229,
1.3406989574432373,
-0.5476700067520142,
-0.28279998898506165,
0.25172001123428345,
0.8235399723052979,
0.6892200112342834,
-0.6452900171279907,
-0.7191699743270874,
0.5319799780845642,
-0.5636699795722961,
0.41464... | [
-122688.15625
] | [
-20.394580841064453,
37.21487045288086,
30.062849044799805,
31.346088409423828,
-28.233488082885742,
0.6178874969482422,
3.801347255706787,
-0.7447916865348816,
-14.731950759887695,
-23.125537872314453,
1.320112943649292,
-0.01701890304684639,
5.325883865356445,
5.369365692138672,
-5.788... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.7885589599609375,
-1.4042190313339233,
-1.0606889724731445,
-0.4836300015449524,
-1.4325790405273438,
-0.14555999636650085,
0.4937100112438202,
0.4273099899291992,
-0.8889700174331665,
0.7580299973487854,
-0.14427000284194946,
0.7881600260734558,
-0.7532899975776672,
0.71... | [
-122667.828125
] | [
32.73322296142578,
-5.179945945739746,
15.79762077331543,
30.773387908935547,
-13.405797004699707,
9.977653503417969,
-42.32653045654297,
9.574674606323242,
-30.391183853149414,
-6.385180473327637,
-6.662790298461914,
5.667734622955322,
1.9239211082458496,
22.8272705078125,
-5.0328488349... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.09371999651193619,
-1.275068998336792,
2.2166390419006348,
-0.8820300102233887,
-0.5855799913406372,
1.0928800106048584,
0.846340000629425,
0.5089499950408936,
0.4912000000476837,
-0.5900300145149231,
0.7511199712753296,
-0.5516300201416016,
0.4004000127315521,
-0.7319599... | [
-122690.171875
] | [
12.585164070129395,
5.290503978729248,
-2.9274256229400635,
1.4156876802444458,
-17.566627502441406,
-21.591609954833984,
-10.996660232543945,
34.604759216308594,
5.840940475463867,
-3.377201795578003,
-1.044347882270813,
-10.000048637390137,
8.792558670043945,
-6.647314071655273,
0.8715... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.09371999651193619,
-1.275068998336792,
2.2166390419006348,
-0.8820300102233887,
-0.5855799913406372,
1.0928800106048584,
0.846340000629425,
0.5089499950408936,
0.4912000000476837,
-0.5900300145149231,
0.7511199712753296,
-0.5516300201416016,
0.4004000127315521,
-0.7319599... | [
-122690.796875
] | [
10.86367130279541,
5.310066223144531,
-4.4054083824157715,
1.1782069206237793,
-17.684524536132812,
-21.643566131591797,
-10.686769485473633,
34.662776947021484,
5.891290664672852,
-2.4409875869750977,
-1.0142943859100342,
-9.430438995361328,
8.981870651245117,
-6.603482723236084,
1.6523... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0.7269200086593628,
3.469619035720825,
1.8211090564727783,
0.8156200051307678,
2.87139892578125,
4.280397891998291,
1.190119981765747,
2.4491190910339355,
2.860168933868408,
-0.369159996509552,
3.584099054336548,
1.867179036140442,
1.004770040512085,
3.150038957595825,
0.8026400208473206... | [
-122695.921875
] | [
0.3880184292793274,
-0.3626667559146881,
-1.9409234523773193,
0.5194904208183289,
-1.210432767868042,
1.5352493524551392,
2.7654852867126465,
-4.736866474151611,
-1.3473773002624512,
8.70329475402832,
0.9688395261764526,
-1.9361777305603027,
-3.366624116897583,
4.646265029907227,
8.02189... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.5562089681625366,
-1.893319010734558,
-0.7219200134277344,
1.101539969444275,
-0.9669399857521057,
0.3551500141620636,
-0.9464300274848938,
-0.49601998925209045,
-0.2735599875450134,
0.34521999955177307,
0.5979999899864197,
-0.8601300120353699,
-0.19122999906539917,
0.6799... | [
-122663.8046875
] | [
-30.453214645385742,
-6.504575729370117,
-27.851911544799805,
-13.707883834838867,
-9.396012306213379,
-27.87104034423828,
19.081724166870117,
-15.792276382446289,
35.54939270019531,
9.933168411254883,
1.9401538372039795,
-0.4387917220592499,
-10.613987922668457,
1.398320198059082,
2.435... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.2396190166473389,
-1.6066089868545532,
-1.352120041847229,
1.3406989574432373,
-0.5476700067520142,
-0.28279998898506165,
0.25172001123428345,
0.8235399723052979,
0.6892200112342834,
-0.6452900171279907,
-0.7191699743270874,
0.5319799780845642,
-0.5636699795722961,
0.41464... | [
-122654.4140625
] | [
-20.902999877929688,
37.34196090698242,
30.262792587280273,
37.56601333618164,
28.677249908447266,
-8.319705963134766,
1.6733322143554688,
-0.35632261633872986,
-13.234258651733398,
-23.12557029724121,
1.010119080543518,
-0.15415318310260773,
5.4636030197143555,
5.428941249847412,
-5.672... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.0884389877319336,
-0.9466300010681152,
-2.1529390811920166,
0.2389100044965744,
0.1639299988746643,
-1.528359055519104,
-0.8260999917984009,
0.61353999376297,
0.3971500098705292,
0.9240599870681763,
0.2600899934768677,
0.5432100296020508,
-0.23010000586509705,
-1.062600016... | [
-122690.984375
] | [
3.100170135498047,
-9.980262756347656,
-9.629241943359375,
12.917985916137695,
25.943527221679688,
-16.438573837280273,
-22.71809196472168,
-1.6728911399841309,
30.18626594543457,
8.512795448303223,
-3.834648847579956,
-6.2439775466918945,
-8.676348686218262,
-3.4762308597564697,
-2.2040... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.2878990173339844,
-0.6735900044441223,
0.9523400068283081,
-0.9070199728012085,
-1.1690700054168701,
0.4074699878692627,
1.0076500177383423,
-0.35357001423835754,
-0.2761099934577942,
0.09730000048875809,
0.7421299815177917,
0.8101699948310852,
-0.4521700143814087,
0.4934... | [
-122693.8984375
] | [
-2.1236464977264404,
-1.8533896207809448,
-3.5475497245788574,
14.515387535095215,
-9.112330436706543,
3.607618570327759,
-13.867042541503906,
3.438364028930664,
-6.15217924118042,
-8.142288208007812,
3.96541166305542,
1.5113905668258667,
-0.8854928612709045,
-5.836856842041016,
-6.35512... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.2878990173339844,
-0.6735900044441223,
0.9523400068283081,
-0.9070199728012085,
-1.1690700054168701,
0.4074699878692627,
1.0076500177383423,
-0.35357001423835754,
-0.2761099934577942,
0.09730000048875809,
0.7421299815177917,
0.8101699948310852,
-0.4521700143814087,
0.4934... | [
-122694.1328125
] | [
-3.2233781814575195,
-0.49088603258132935,
-2.0208489894866943,
14.646289825439453,
-9.234965324401855,
4.1986613273620605,
-14.16931438446045,
3.512610673904419,
-6.738870143890381,
-7.715771198272705,
3.9868619441986084,
0.7275830507278442,
-0.5048277378082275,
-6.657207489013672,
-6.2... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.7727000117301941,
-1.2333489656448364,
2.177198886871338,
0.2059600055217743,
-1.1715099811553955,
0.9391400218009949,
0.803659975528717,
0.0035200000274926424,
-0.7554600238800049,
0.01496999990195036,
0.964959979057312,
0.5340800285339355,
-0.9688599705696106,
-0.100699... | [
-122667.5625
] | [
-20.98577308654785,
-24.041149139404297,
-14.447470664978027,
14.67081069946289,
0.0008976664976216853,
-18.69091796875,
2.4764389991760254,
-1.483565330505371,
25.806638717651367,
-9.415836334228516,
4.589176177978516,
6.649624347686768,
-36.594844818115234,
-74.39603424072266,
28.06409... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0.7269200086593628,
3.469619035720825,
1.8211090564727783,
0.8156200051307678,
2.87139892578125,
4.280397891998291,
1.190119981765747,
2.4491190910339355,
2.860168933868408,
-0.369159996509552,
3.584099054336548,
1.867179036140442,
1.004770040512085,
3.150038957595825,
0.8026400208473206... | [
-122696.953125
] | [
0.4571506083011627,
-0.32133379578590393,
-2.9277944564819336,
0.8159492015838623,
-1.860348105430603,
2.073599100112915,
2.4071669578552246,
-3.92356276512146,
-1.945677399635315,
8.812084197998047,
0.765298068523407,
-1.7499788999557495,
-3.369938611984253,
4.699954032897949,
7.8505477... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0.7269200086593628,
3.469619035720825,
1.8211090564727783,
0.8156200051307678,
2.87139892578125,
4.280397891998291,
1.190119981765747,
2.4491190910339355,
2.860168933868408,
-0.369159996509552,
3.584099054336548,
1.867179036140442,
1.004770040512085,
3.150038957595825,
0.8026400208473206... | [
-122695.609375
] | [
-0.06314259767532349,
1.0056438446044922,
-5.224628925323486,
1.1008973121643066,
-2.57490611076355,
2.7850193977355957,
0.16268160939216614,
-0.22917889058589935,
1.1869795322418213,
8.83224868774414,
0.6316015124320984,
-1.0281364917755127,
-4.055788993835449,
5.630659103393555,
9.5305... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.1417789459228516,
1.4093990325927734,
-0.04089999943971634,
-1.4105490446090698,
0.1647000014781952,
-0.5520899891853333,
0.4480400085449219,
-1.0026899576187134,
-0.10238000005483627,
0.13186000287532806,
0.33963000774383545,
1.0410900115966797,
0.5367500185966492,
0.694... | [
-122670.5234375
] | [
7.169472694396973,
11.696708679199219,
-17.067792892456055,
6.320633411407471,
-9.707499504089355,
-29.2322998046875,
-32.28300476074219,
-8.74415397644043,
18.675146102905273,
-8.246871948242188,
8.67473316192627,
-1.7365400791168213,
-6.385872840881348,
-3.312844753265381,
-9.476799964... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.7885589599609375,
-1.4042190313339233,
-1.0606889724731445,
-0.4836300015449524,
-1.4325790405273438,
-0.14555999636650085,
0.4937100112438202,
0.4273099899291992,
-0.8889700174331665,
0.7580299973487854,
-0.14427000284194946,
0.7881600260734558,
-0.7532899975776672,
0.71... | [
-122689.5625
] | [
33.60668182373047,
-5.450587272644043,
16.492219924926758,
12.875338554382324,
-22.119272232055664,
24.02142333984375,
-42.96304702758789,
11.289215087890625,
-31.20663833618164,
-6.523722171783447,
-6.612821102142334,
5.744948387145996,
2.222959041595459,
23.045896530151367,
-4.90848445... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.1052700281143188,
-0.8386600017547607,
2.2654991149902344,
0.20336000621318817,
-0.42897000908851624,
1.4801290035247803,
-0.08876000344753265,
-0.9081500172615051,
-0.6196699738502502,
0.8576899766921997,
0.5910400152206421,
-0.3628300130367279,
-0.9174500107765198,
0.60... | [
-122692.8125
] | [
-6.115929126739502,
-18.314878463745117,
5.549644947052002,
13.860547065734863,
12.392616271972656,
-21.057064056396484,
-2.5557265281677246,
5.361534595489502,
7.039420127868652,
-0.8478845953941345,
10.068391799926758,
-0.4257963299751282,
-8.001863479614258,
-6.931582927703857,
3.1743... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.5669490098953247,
1.7522989511489868,
0.8309699892997742,
-1.1438490152359009,
0.19912999868392944,
1.0367900133132935,
-0.37953999638557434,
0.09103000164031982,
-1.031630039215088,
0.23113000392913818,
-1.0602600574493408,
0.19755999743938446,
0.9312800168991089,
0.5848... | [
-122683.203125
] | [
-25.058439254760742,
-47.99538803100586,
-3.4191133975982666,
-16.170625686645508,
-38.32992172241211,
10.149362564086914,
42.08238983154297,
76.50025177001953,
3.913517713546753,
5.200453758239746,
-1.0932202339172363,
6.871275424957275,
14.225462913513184,
4.718064308166504,
-17.336402... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
2.085458993911743,
1.3475300073623657,
0.7588000297546387,
0.5777000188827515,
1.333338975906372,
0.539650022983551,
-1.0717699527740479,
0.16027000546455383,
-0.2055100053548813,
0.10166999697685242,
-0.8509799838066101,
0.6943399906158447,
0.5052800178527832,
-0.2558900117... | [
-122692.1484375
] | [
2.52567195892334,
6.492383003234863,
8.04680347442627,
4.392390251159668,
-17.859785079956055,
-9.49232292175293,
-16.01081085205078,
11.84885025024414,
-7.369612216949463,
9.057855606079102,
-6.023667335510254,
0.533432126045227,
0.632506251335144,
7.873686790466309,
-4.451141834259033,... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.1417789459228516,
1.4093990325927734,
-0.04089999943971634,
-1.4105490446090698,
0.1647000014781952,
-0.5520899891853333,
0.4480400085449219,
-1.0026899576187134,
-0.10238000005483627,
0.13186000287532806,
0.33963000774383545,
1.0410900115966797,
0.5367500185966492,
0.694... | [
-122688.640625
] | [
7.33637809753418,
11.18143367767334,
-17.38287353515625,
-5.42800235748291,
11.224817276000977,
-14.132750511169434,
-30.353439331054688,
-7.582550048828125,
20.372051239013672,
-8.081366539001465,
8.66927433013916,
-1.68643319606781,
-6.433100700378418,
-3.389944553375244,
-9.4626350402... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.7727000117301941,
-1.2333489656448364,
2.177198886871338,
0.2059600055217743,
-1.1715099811553955,
0.9391400218009949,
0.803659975528717,
0.0035200000274926424,
-0.7554600238800049,
0.01496999990195036,
0.964959979057312,
0.5340800285339355,
-0.9688599705696106,
-0.100699... | [
-122694.5625
] | [
-12.932537078857422,
2.540961980819702,
-9.089683532714844,
15.176323890686035,
-0.012684728018939495,
-18.685914993286133,
2.5384905338287354,
-2.6015989780426025,
22.66671371459961,
-8.031218528747559,
2.7687652111053467,
4.535924434661865,
0.7367423176765442,
-7.719986438751221,
-3.70... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.5669490098953247,
1.7522989511489868,
0.8309699892997742,
-1.1438490152359009,
0.19912999868392944,
1.0367900133132935,
-0.37953999638557434,
0.09103000164031982,
-1.031630039215088,
0.23113000392913818,
-1.0602600574493408,
0.19755999743938446,
0.9312800168991089,
0.5848... | [
-122683.8359375
] | [
-25.48126983642578,
-47.59261703491211,
-5.766794681549072,
-16.362314224243164,
-38.26511001586914,
9.156930923461914,
42.11238098144531,
76.30720520019531,
4.323625564575195,
5.021164894104004,
0.7721165418624878,
8.17898941040039,
14.70763874053955,
3.758298397064209,
-16.085514068603... |
[H:2][C:1]([H:3])([H:4])[H:5].[H:9][C:7]([H:10])([H:11])[O:6][C:8]([H:12])([H:13])[H:14] | [
1.3232389688491821,
0.3513199985027313,
3.4190289974212646,
1.4113490581512451,
0.30090001225471497,
2.323719024658203,
0.6353700160980225,
-0.43292000889778137,
3.7680389881134033,
0.9329900145530701,
1.3376100063323975,
3.7104690074920654,
2.313249111175537,
0.19968999922275543,
3.8738... | [
-122678.203125
] | [
0.16043920814990997,
-0.05379239842295647,
-0.9842777252197266,
-0.6217461228370667,
0.10777334868907928,
8.479905128479004,
5.666913032531738,
6.5037078857421875,
-2.598086357116699,
3.156254768371582,
-7.907803058624268,
-1.7380353212356567,
-8.481441497802734,
1.3975398540496826,
-3.5... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.1417789459228516,
1.4093990325927734,
-0.04089999943971634,
-1.4105490446090698,
0.1647000014781952,
-0.5520899891853333,
0.4480400085449219,
-1.0026899576187134,
-0.10238000005483627,
0.13186000287532806,
0.33963000774383545,
1.0410900115966797,
0.5367500185966492,
0.694... | [
-122683.7890625
] | [
7.312521934509277,
11.412179946899414,
-17.219314575195312,
-1.9673280715942383,
5.447551727294922,
-17.983888626098633,
-31.157917022705078,
-8.038154602050781,
19.961380004882812,
-8.171207427978516,
8.669867515563965,
-1.7200441360473633,
-6.419864177703857,
-3.355342388153076,
-9.490... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.5669490098953247,
1.7522989511489868,
0.8309699892997742,
-1.1438490152359009,
0.19912999868392944,
1.0367900133132935,
-0.37953999638557434,
0.09103000164031982,
-1.031630039215088,
0.23113000392913818,
-1.0602600574493408,
0.19755999743938446,
0.9312800168991089,
0.5848... | [
-122683.2421875
] | [
-25.262510299682617,
-47.94394302368164,
-3.906482219696045,
-16.397132873535156,
-38.28475570678711,
10.036550521850586,
42.1307373046875,
76.59940338134766,
4.038451194763184,
5.261354923248291,
-1.1341679096221924,
6.9241156578063965,
14.33875560760498,
4.628234386444092,
-17.24623298... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.414928913116455,
-0.7803400158882141,
0.4942600131034851,
-1.09211003780365,
-1.0643689632415771,
-0.32363998889923096,
0.45210000872612,
-0.22899000346660614,
0.9796800017356873,
-0.393449991941452,
1.0300999879837036,
0.026249999180436134,
0.7857400178909302,
-0.0569199... | [
-122662.0078125
] | [
-21.7952880859375,
-2.11545729637146,
-14.346732139587402,
14.238269805908203,
16.514942169189453,
-22.629478454589844,
-23.266271591186523,
5.18665885925293,
16.826448440551758,
-47.990787506103516,
59.69694137573242,
-22.48002052307129,
-3.7314693927764893,
-10.787626266479492,
-1.2186... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.5669490098953247,
1.7522989511489868,
0.8309699892997742,
-1.1438490152359009,
0.19912999868392944,
1.0367900133132935,
-0.37953999638557434,
0.09103000164031982,
-1.031630039215088,
0.23113000392913818,
-1.0602600574493408,
0.19755999743938446,
0.9312800168991089,
0.5848... | [
-122683.546875
] | [
-24.652742385864258,
-47.525089263916016,
-3.927253007888794,
-17.110267639160156,
-37.49867248535156,
10.38455581665039,
42.71555709838867,
76.1343994140625,
4.015040397644043,
5.090612411499023,
-1.3328580856323242,
6.985980033874512,
13.992704391479492,
4.6062445640563965,
-17.2531166... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.0884389877319336,
-0.9466300010681152,
-2.1529390811920166,
0.2389100044965744,
0.1639299988746643,
-1.528359055519104,
-0.8260999917984009,
0.61353999376297,
0.3971500098705292,
0.9240599870681763,
0.2600899934768677,
0.5432100296020508,
-0.23010000586509705,
-1.062600016... | [
-122691.5078125
] | [
3.179342746734619,
-10.391687393188477,
-9.857330322265625,
13.27989387512207,
25.437063217163086,
-16.27883529663086,
-22.637475967407227,
-1.8643609285354614,
29.90390968322754,
8.449904441833496,
-4.259236812591553,
-5.781630516052246,
-8.062501907348633,
-2.5263051986694336,
-2.02857... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.1417789459228516,
1.4093990325927734,
-0.04089999943971634,
-1.4105490446090698,
0.1647000014781952,
-0.5520899891853333,
0.4480400085449219,
-1.0026899576187134,
-0.10238000005483627,
0.13186000287532806,
0.33963000774383545,
1.0410900115966797,
0.5367500185966492,
0.694... | [
-122689.265625
] | [
7.303406715393066,
11.042729377746582,
-17.502050399780273,
-6.027888774871826,
11.968575477600098,
-13.209114074707031,
-30.01841163635254,
-7.276656627655029,
20.29068374633789,
-8.00881576538086,
8.670018196105957,
-1.653527855873108,
-6.428479194641113,
-3.4119925498962402,
-9.424799... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.2396190166473389,
-1.6066089868545532,
-1.352120041847229,
1.3406989574432373,
-0.5476700067520142,
-0.28279998898506165,
0.25172001123428345,
0.8235399723052979,
0.6892200112342834,
-0.6452900171279907,
-0.7191699743270874,
0.5319799780845642,
-0.5636699795722961,
0.41464... | [
-122664.484375
] | [
-20.863239288330078,
37.25530242919922,
30.160093307495117,
37.039852142333984,
11.733868598937988,
-6.12181282043457,
2.2041733264923096,
-0.5330929756164551,
-13.251815795898438,
-23.09514617919922,
1.031559944152832,
-0.1713297963142395,
5.4639573097229,
5.425302982330322,
-5.70000791... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.5562089681625366,
-1.893319010734558,
-0.7219200134277344,
1.101539969444275,
-0.9669399857521057,
0.3551500141620636,
-0.9464300274848938,
-0.49601998925209045,
-0.2735599875450134,
0.34521999955177307,
0.5979999899864197,
-0.8601300120353699,
-0.19122999906539917,
0.6799... | [
-122694.1484375
] | [
-0.6210299134254456,
11.134868621826172,
-14.065947532653809,
-10.12796688079834,
-8.296427726745605,
-26.28282356262207,
11.598251342773438,
0.6882256269454956,
43.00003433227539,
8.569917678833008,
3.4791786670684814,
2.296220302581787,
-9.298990249633789,
0.4181287884712219,
4.4248509... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.6029700040817261,
-2.1710290908813477,
-1.2504090070724487,
0.3350200057029724,
-0.9930300116539001,
-1.144199013710022,
0.8378599882125854,
0.7103700041770935,
-0.09990999847650528,
0.07202000170946121,
-0.49277999997138977,
0.9841700196266174,
-0.9467200040817261,
0.564... | [
-122687.671875
] | [
36.64631652832031,
-8.114481925964355,
-7.393105506896973,
-15.444853782653809,
-2.1377992630004883,
5.761337757110596,
-2.3411641120910645,
9.036842346191406,
-8.695534706115723,
-12.272919654846191,
4.21848726272583,
13.42042064666748,
1.502898931503296,
7.829091548919678,
-9.555522918... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.414928913116455,
-0.7803400158882141,
0.4942600131034851,
-1.09211003780365,
-1.0643689632415771,
-0.32363998889923096,
0.45210000872612,
-0.22899000346660614,
0.9796800017356873,
-0.393449991941452,
1.0300999879837036,
0.026249999180436134,
0.7857400178909302,
-0.0569199... | [
-122690.1015625
] | [
-0.957219660282135,
-22.765668869018555,
-3.7999064922332764,
14.684938430786133,
16.391494750976562,
-22.618209838867188,
-23.004125595092773,
4.035136699676514,
15.716541290283203,
-4.807735919952393,
9.65501880645752,
-8.523006439208984,
-0.4675135016441345,
-11.325218200683594,
-0.82... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.7727000117301941,
-1.2333489656448364,
2.177198886871338,
0.2059600055217743,
-1.1715099811553955,
0.9391400218009949,
0.803659975528717,
0.0035200000274926424,
-0.7554600238800049,
0.01496999990195036,
0.964959979057312,
0.5340800285339355,
-0.9688599705696106,
-0.100699... | [
-122682.046875
] | [
-15.469578742980957,
-11.827863693237305,
-13.614465713500977,
14.77551555633545,
0.03085862100124359,
-18.687334060668945,
2.664684534072876,
-1.6116173267364502,
25.580215454101562,
-8.953927040100098,
4.207204341888428,
5.836921691894531,
-17.8056583404541,
-40.9130744934082,
11.02663... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.5562089681625366,
-1.893319010734558,
-0.7219200134277344,
1.101539969444275,
-0.9669399857521057,
0.3551500141620636,
-0.9464300274848938,
-0.49601998925209045,
-0.2735599875450134,
0.34521999955177307,
0.5979999899864197,
-0.8601300120353699,
-0.19122999906539917,
0.6799... | [
-122693.7890625
] | [
-0.8716531991958618,
12.078408241271973,
-13.085017204284668,
-10.077532768249512,
-8.507071495056152,
-26.040771484375,
11.512896537780762,
1.0531336069107056,
43.11247634887695,
8.588579177856445,
2.8371763229370117,
2.006455421447754,
-9.206293106079102,
0.2552230656147003,
4.85097694... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0.7269200086593628,
3.469619035720825,
1.8211090564727783,
0.8156200051307678,
2.87139892578125,
4.280397891998291,
1.190119981765747,
2.4491190910339355,
2.860168933868408,
-0.369159996509552,
3.584099054336548,
1.867179036140442,
1.004770040512085,
3.150038957595825,
0.8026400208473206... | [
-122695.8515625
] | [
0.37059515714645386,
-0.34288251399993896,
-1.8678982257843018,
0.4904235601425171,
-1.145646572113037,
1.47467041015625,
2.815962076187134,
-4.841320514678955,
-1.3078336715698242,
8.674113273620605,
1.0002590417861938,
-1.9397600889205933,
-3.3426172733306885,
4.591989040374756,
8.0651... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.9538789987564087,
1.2468700408935547,
-0.9482200145721436,
-1.0829399824142456,
0.012400000356137753,
-1.0819599628448486,
-0.43081000447273254,
-0.4204599857330322,
0.924239993095398,
0.3958500027656555,
1.0053000450134277,
0.22199000418186188,
0.8354200124740601,
-0.643... | [
-122690.1015625
] | [
11.220074653625488,
-0.8959660530090332,
-4.673464298248291,
-18.52040672302246,
-4.967852592468262,
2.389641761779785,
14.874602317810059,
-6.696082592010498,
1.3769493103027344,
5.507207870483398,
5.523306369781494,
-5.595241069793701,
-0.5879407525062561,
-9.675890922546387,
-2.973981... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.0884389877319336,
-0.9466300010681152,
-2.1529390811920166,
0.2389100044965744,
0.1639299988746643,
-1.528359055519104,
-0.8260999917984009,
0.61353999376297,
0.3971500098705292,
0.9240599870681763,
0.2600899934768677,
0.5432100296020508,
-0.23010000586509705,
-1.062600016... | [
-122691.1328125
] | [
3.160443067550659,
-10.27900505065918,
-9.585336685180664,
13.383476257324219,
25.23357391357422,
-16.70035743713379,
-23.114978790283203,
-1.5293948650360107,
30.12013053894043,
8.191332817077637,
-4.021529197692871,
-6.384193420410156,
-8.439799308776855,
-3.962468385696411,
-2.0441703... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.9538789987564087,
1.2468700408935547,
-0.9482200145721436,
-1.0829399824142456,
0.012400000356137753,
-1.0819599628448486,
-0.43081000447273254,
-0.4204599857330322,
0.924239993095398,
0.3958500027656555,
1.0053000450134277,
0.22199000418186188,
0.8354200124740601,
-0.643... | [
-122691.46875
] | [
13.079071044921875,
0.7471182346343994,
-3.8758561611175537,
-18.35711669921875,
-4.844394207000732,
2.8211560249328613,
15.19378662109375,
-6.927308082580566,
0.24100033938884735,
6.359124183654785,
5.717762470245361,
-5.70878791809082,
-1.7549108266830444,
-8.337258338928223,
-2.342977... |
[H:2][C:1]([H:3])([H:4])[H:5].[H:10][C:7]([H:11])([H:12])[C:8]([H:13])([H:14])[O:6][H:9] | [
0.3400999903678894,
0.15897999703884125,
-0.6547799706459045,
1.2608100175857544,
0.7598999738693237,
-0.6892600059509277,
0.19226999580860138,
-0.3412899971008301,
-1.6232190132141113,
-0.5181000232696533,
0.8146700263023376,
-0.4460099935531616,
0.4254100024700165,
-0.597350001335144,
... | [
-122689.046875
] | [
0.4855889678001404,
0.3924996554851532,
0.11032997816801071,
-7.217550754547119,
-4.771018028259277,
0.4787171483039856,
1.1556062698364258,
4.203252792358398,
8.292609214782715,
6.942572116851807,
-5.58278751373291,
-1.767750859260559,
-0.8080314993858337,
6.177760124206543,
-6.58643198... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.0884389877319336,
-0.9466300010681152,
-2.1529390811920166,
0.2389100044965744,
0.1639299988746643,
-1.528359055519104,
-0.8260999917984009,
0.61353999376297,
0.3971500098705292,
0.9240599870681763,
0.2600899934768677,
0.5432100296020508,
-0.23010000586509705,
-1.062600016... | [
-122690.5859375
] | [
2.9749913215637207,
-10.00005054473877,
-9.608160018920898,
13.18763542175293,
26.048973083496094,
-16.442995071411133,
-22.951383590698242,
-2.1142678260803223,
30.16948699951172,
8.159153938293457,
-4.0159430503845215,
-6.142123699188232,
-8.326302528381348,
-3.781643867492676,
-2.0711... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.0884389877319336,
-0.9466300010681152,
-2.1529390811920166,
0.2389100044965744,
0.1639299988746643,
-1.528359055519104,
-0.8260999917984009,
0.61353999376297,
0.3971500098705292,
0.9240599870681763,
0.2600899934768677,
0.5432100296020508,
-0.23010000586509705,
-1.062600016... | [
-122690.796875
] | [
2.8700332641601562,
-9.95892333984375,
-9.599777221679688,
13.031354904174805,
25.961442947387695,
-15.948588371276855,
-22.734315872192383,
-2.299215793609619,
29.79509925842285,
7.984312057495117,
-3.8731582164764404,
-6.08256721496582,
-8.356688499450684,
-4.004278182983398,
-2.079694... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.2878990173339844,
-0.6735900044441223,
0.9523400068283081,
-0.9070199728012085,
-1.1690700054168701,
0.4074699878692627,
1.0076500177383423,
-0.35357001423835754,
-0.2761099934577942,
0.09730000048875809,
0.7421299815177917,
0.8101699948310852,
-0.4521700143814087,
0.4934... | [
-122694.2265625
] | [
-2.369860887527466,
-1.6503177881240845,
-3.4565391540527344,
14.946335792541504,
-10.241802215576172,
4.118182182312012,
-13.758241653442383,
3.8188323974609375,
-6.636866092681885,
-8.605711936950684,
4.720810413360596,
1.7391951084136963,
-0.06317342817783356,
-6.348823070526123,
-5.5... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.0999900102615356,
2.3031489849090576,
0.34828999638557434,
-1.3008699417114258,
0.7688900232315063,
0.4380599856376648,
0.17826999723911285,
0.1840900033712387,
-1.0728199481964111,
-0.2506900131702423,
-1.0653300285339355,
0.13725000619888306,
0.9291899800300598,
0.21689... | [
-122692.6640625
] | [
-28.872562408447266,
-7.238940715789795,
1.8932961225509644,
-11.137079238891602,
-6.752176284790039,
6.520430088043213,
24.50684356689453,
11.570015907287598,
-12.115178108215332,
0.6712897419929504,
-2.3018860816955566,
9.439242362976074,
11.551959037780762,
4.889795780181885,
-5.31580... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.0884389877319336,
-0.9466300010681152,
-2.1529390811920166,
0.2389100044965744,
0.1639299988746643,
-1.528359055519104,
-0.8260999917984009,
0.61353999376297,
0.3971500098705292,
0.9240599870681763,
0.2600899934768677,
0.5432100296020508,
-0.23010000586509705,
-1.062600016... | [
-122690.7109375
] | [
3.07023286819458,
-10.116908073425293,
-9.507418632507324,
14.261055946350098,
26.44194221496582,
-16.551223754882812,
-23.390357971191406,
-2.2797563076019287,
30.477802276611328,
8.034857749938965,
-3.9005887508392334,
-6.317246913909912,
-8.499217987060547,
-4.1631178855896,
-2.129846... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.7727000117301941,
-1.2333489656448364,
2.177198886871338,
0.2059600055217743,
-1.1715099811553955,
0.9391400218009949,
0.803659975528717,
0.0035200000274926424,
-0.7554600238800049,
0.01496999990195036,
0.964959979057312,
0.5340800285339355,
-0.9688599705696106,
-0.100699... | [
-122694.1015625
] | [
-9.026322364807129,
1.804399847984314,
-8.020517349243164,
15.339398384094238,
0.23835833370685577,
-18.566211700439453,
1.7397761344909668,
-3.1686038970947266,
23.488628387451172,
-9.421632766723633,
3.0513925552368164,
4.273797512054443,
0.023379648104310036,
-7.682272911071777,
-3.96... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0.7269200086593628,
3.469619035720825,
1.8211090564727783,
0.8156200051307678,
2.87139892578125,
4.280397891998291,
1.190119981765747,
2.4491190910339355,
2.860168933868408,
-0.369159996509552,
3.584099054336548,
1.867179036140442,
1.004770040512085,
3.150038957595825,
0.8026400208473206... | [
-122697.21875
] | [
0.42416107654571533,
-0.16188117861747742,
-3.5150108337402344,
0.9300845265388489,
-2.120486259460449,
2.296124219894409,
2.1063716411590576,
-3.3466038703918457,
-1.9098963737487793,
8.831069946289062,
0.7046599388122559,
-1.6016470193862915,
-3.416177272796631,
4.7499494552612305,
8.0... |
[H:2][C:1]([H:3])([H:4])[H:5].[H:9][C:7]([H:10])([H:11])[O:6][C:8]([H:12])([H:13])[H:14] | [
1.3538299798965454,
0.33395999670028687,
3.512639045715332,
1.4419399499893188,
0.2835400104522705,
2.4173290729522705,
0.6659600138664246,
-0.45028001070022583,
3.8616390228271484,
0.9635900259017944,
1.3202500343322754,
3.804079055786133,
2.343838930130005,
0.18232999742031097,
3.96748... | [
-122678.140625
] | [
0.05144210159778595,
-0.007258410565555096,
-0.9101852178573608,
-0.6812043786048889,
0.17055782675743103,
8.331561088562012,
5.687090873718262,
6.524799823760986,
-2.6612374782562256,
3.173936605453491,
-7.949331760406494,
-1.8319381475448608,
-8.475735664367676,
1.3856734037399292,
-3.... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-1.0999900102615356,
2.3031489849090576,
0.34828999638557434,
-1.3008699417114258,
0.7688900232315063,
0.4380599856376648,
0.17826999723911285,
0.1840900033712387,
-1.0728199481964111,
-0.2506900131702423,
-1.0653300285339355,
0.13725000619888306,
0.9291899800300598,
0.21689... | [
-122692.7109375
] | [
-29.143077850341797,
-7.251975059509277,
2.0004942417144775,
-11.026384353637695,
-6.756490707397461,
6.168129920959473,
24.811283111572266,
11.908882141113281,
-12.216333389282227,
0.582148015499115,
-2.2826058864593506,
9.514578819274902,
12.08738899230957,
4.36325216293335,
-5.4331154... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
1.0884389877319336,
-0.9466300010681152,
-2.1529390811920166,
0.2389100044965744,
0.1639299988746643,
-1.528359055519104,
-0.8260999917984009,
0.61353999376297,
0.3971500098705292,
0.9240599870681763,
0.2600899934768677,
0.5432100296020508,
-0.23010000586509705,
-1.062600016... | [
-122690.796875
] | [
2.9898781776428223,
-10.069315910339355,
-9.651418685913086,
13.113536834716797,
25.962448120117188,
-16.362680435180664,
-22.883516311645508,
-2.056324005126953,
30.13625144958496,
8.221880912780762,
-4.058760643005371,
-6.080709934234619,
-8.215681076049805,
-3.5712766647338867,
-2.070... |
[H:2][C:1]([H:3])([H:4])[H:5].[H:10][C:7]([H:11])([H:12])[C:8]([H:13])([H:14])[O:6][H:9] | [
1.357138991355896,
0.9299299716949463,
0.13343000411987305,
2.277838945388794,
1.5308489799499512,
0.09893999993801117,
1.2093100547790527,
0.42965999245643616,
-0.8350099921226501,
0.49893999099731445,
1.5856189727783203,
0.34220001101493835,
1.4424500465393066,
0.1736000031232834,
0.92... | [
-122680.515625
] | [
-4.268691062927246,
-7.768185615539551,
-12.478957176208496,
-16.98609733581543,
-13.267483711242676,
-7.38377571105957,
-1.6427854299545288,
2.5573642253875732,
7.7408952713012695,
4.460212230682373,
-5.799742698669434,
-2.90566349029541,
-4.597234725952148,
5.0065460205078125,
-8.50309... |
[H:2][C:1]([H:3])([H:4])[H:5].[H:9][C:7]([H:10])([H:11])[O:6][C:8]([H:12])([H:13])[H:14] | [
1.2620489597320557,
0.38604000210762024,
3.23180890083313,
1.3501590490341187,
0.3356199860572815,
2.1364989280700684,
0.574180006980896,
-0.39820000529289246,
3.5808188915252686,
0.8718000054359436,
1.3723299503326416,
3.5232479572296143,
2.252058982849121,
0.23441000282764435,
3.686669... | [
-122678.15625
] | [
0.6044841408729553,
-0.22501547634601593,
-1.0560886859893799,
-0.32546281814575195,
-0.10300753265619278,
9.25547981262207,
5.617073059082031,
6.4482550621032715,
-2.4154961109161377,
3.1073029041290283,
-7.816220760345459,
-1.4805959463119507,
-8.499954223632812,
1.4279905557632446,
-3... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-0.7727000117301941,
-1.2333489656448364,
2.177198886871338,
0.2059600055217743,
-1.1715099811553955,
0.9391400218009949,
0.803659975528717,
0.0035200000274926424,
-0.7554600238800049,
0.01496999990195036,
0.964959979057312,
0.5340800285339355,
-0.9688599705696106,
-0.100699... | [
-122693.984375
] | [
-10.202105522155762,
2.4823241233825684,
-8.496916770935059,
15.203328132629395,
0.22086983919143677,
-18.55251693725586,
2.1282107830047607,
-3.261798858642578,
23.128692626953125,
-8.580718040466309,
2.717226982116699,
4.489165306091309,
-0.08218570053577423,
-7.994940757751465,
-4.238... |
[H:4][C:1]([H:5])([H:6])[C:3]([H:10])([H:11])[C:2]([H:7])([H:8])[H:9].[H:13][O:12][H:14] | [
0,
0,
0,
-2.2878990173339844,
-0.6735900044441223,
0.9523400068283081,
-0.9070199728012085,
-1.1690700054168701,
0.4074699878692627,
1.0076500177383423,
-0.35357001423835754,
-0.2761099934577942,
0.09730000048875809,
0.7421299815177917,
0.8101699948310852,
-0.4521700143814087,
0.4934... | [
-122693.7265625
] | [
-1.8095486164093018,
-2.1894845962524414,
-2.8829123973846436,
14.524882316589355,
-9.336236000061035,
4.409850120544434,
-14.796582221984863,
4.378155708312988,
-6.859410285949707,
-8.348408699035645,
4.643256664276123,
1.5686633586883545,
-0.3998386859893799,
-6.354666709899902,
-6.308... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.