Asignement of hydrophobic values to cage atoms from tables
C1 Atom type:[29, 39][0.136, 0.08129]0.108645
C2 Atom type:[26, 39][0.1581, 0.08129]0.119695
C3 Atom type:[26, 39][0.1581, 0.08129]0.119695
C4 Atom type:[26, 39][0.1581, 0.08129]0.119695
C5 Atom type:[29, 39][0.136, 0.08129]0.108645
C6 Atom type:[29, 39][0.136, 0.08129]0.108645
H7 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H8 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H9 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
C10 Atom type:[18, 39][-0.0516, 0.08129]0.014845
H11 Atom type:[40, 48][0.123, 0.1125]0.11775
H12 Atom type:[40, 48][0.123, 0.1125]0.11775
C13 Atom type:[18, 39][-0.0516, 0.08129]0.014845
H14 Atom type:[40, 48][0.123, 0.1125]0.11775
H15 Atom type:[40, 48][0.123, 0.1125]0.11775
C16 Atom type:[18, 39][-0.0516, 0.08129]0.014845
H17 Atom type:[40, 48][0.123, 0.1125]0.11775
H18 Atom type:[40, 48][0.123, 0.1125]0.11775
C19 Atom type:[29, 39][0.136, 0.08129]0.108645
C20 Atom type:[29, 39][0.136, 0.08129]0.108645
C21 Atom type:[26, 39][0.1581, 0.08129]0.119695
C22 Atom type:[26, 39][0.1581, 0.08129]0.119695
C23 Atom type:[26, 39][0.1581, 0.08129]0.119695
C24 Atom type:[26, 39][0.1581, 0.08129]0.119695
H25 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H26 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H27 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H28 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
C29 Atom type:[29, 39][0.136, 0.08129]0.108645
C30 Atom type:[29, 39][0.136, 0.08129]0.108645
C31 Atom type:[26, 39][0.1581, 0.08129]0.119695
C32 Atom type:[26, 39][0.1581, 0.08129]0.119695
C33 Atom type:[26, 39][0.1581, 0.08129]0.119695
C34 Atom type:[26, 39][0.1581, 0.08129]0.119695
H35 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H36 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H37 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H38 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
C39 Atom type:[29, 39][0.136, 0.08129]0.108645
C40 Atom type:[29, 39][0.136, 0.08129]0.108645
C41 Atom type:[26, 39][0.1581, 0.08129]0.119695
C42 Atom type:[26, 39][0.1581, 0.08129]0.119695
C43 Atom type:[26, 39][0.1581, 0.08129]0.119695
C44 Atom type:[26, 39][0.1581, 0.08129]0.119695
H45 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H46 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H47 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H48 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
C49 Atom type:[18, 39][-0.0516, 0.08129]0.014845
C50 Atom type:[18, 39][-0.0516, 0.08129]0.014845
C51 Atom type:[18, 39][-0.0516, 0.08129]0.014845
C52 Atom type:[29, 39][0.136, 0.08129]0.108645
C53 Atom type:[26, 39][0.1581, 0.08129]0.119695
C54 Atom type:[26, 39][0.1581, 0.08129]0.119695
C55 Atom type:[26, 39][0.1581, 0.08129]0.119695
C56 Atom type:[29, 39][0.136, 0.08129]0.108645
C57 Atom type:[29, 39][0.136, 0.08129]0.108645
H58 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H59 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H60 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
C61 Atom type:[18, 39][-0.0516, 0.08129]0.014845
C62 Atom type:[18, 39][-0.0516, 0.08129]0.014845
C63 Atom type:[18, 39][-0.0516, 0.08129]0.014845
C64 Atom type:[29, 39][0.136, 0.08129]0.108645
C65 Atom type:[29, 39][0.136, 0.08129]0.108645
C66 Atom type:[26, 39][0.1581, 0.08129]0.119695
C67 Atom type:[26, 39][0.1581, 0.08129]0.119695
C68 Atom type:[26, 39][0.1581, 0.08129]0.119695
C69 Atom type:[26, 39][0.1581, 0.08129]0.119695
H70 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H71 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H72 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H73 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
C74 Atom type:[29, 39][0.136, 0.08129]0.108645
C75 Atom type:[29, 39][0.136, 0.08129]0.108645
C76 Atom type:[26, 39][0.1581, 0.08129]0.119695
C77 Atom type:[26, 39][0.1581, 0.08129]0.119695
C78 Atom type:[26, 39][0.1581, 0.08129]0.119695
C79 Atom type:[26, 39][0.1581, 0.08129]0.119695
H80 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H81 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H82 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H83 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
C84 Atom type:[29, 39][0.136, 0.08129]0.108645
C85 Atom type:[29, 39][0.136, 0.08129]0.108645
C86 Atom type:[26, 39][0.1581, 0.08129]0.119695
C87 Atom type:[26, 39][0.1581, 0.08129]0.119695
C88 Atom type:[26, 39][0.1581, 0.08129]0.119695
C89 Atom type:[26, 39][0.1581, 0.08129]0.119695
H90 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H91 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H92 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H93 Atom type:[40, 43, 48][0.123, -0.2677, 0.1125]-0.01073333333333333
H94 Atom type:[40, 48][0.123, 0.1125]0.11775
H95 Atom type:[40, 48][0.123, 0.1125]0.11775
H96 Atom type:[40, 48][0.123, 0.1125]0.11775
H97 Atom type:[40, 48][0.123, 0.1125]0.11775
H98 Atom type:[40, 48][0.123, 0.1125]0.11775
H99 Atom type:[40, 48][0.123, 0.1125]0.11775
H100 Atom type:[40, 48][0.123, 0.1125]0.11775
H101 Atom type:[40, 48][0.123, 0.1125]0.11775
H102 Atom type:[40, 48][0.123, 0.1125]0.11775
H103 Atom type:[40, 48][0.123, 0.1125]0.11775
H104 Atom type:[40, 48][0.123, 0.1125]0.11775
H105 Atom type:[40, 48][0.123, 0.1125]0.11775
*****************

-------------
C: [2.7596618779946906, 2.8185888376611765, 2.8602898743561, 2.963030645500936, 3.2182466290195015, 3.302687188363421, 3.3454768016128447, 3.3632898912105347, 3.5617324820679714, 3.7046460989424475, 3.7972801172582953, 3.8856939022657557, 4.009239565209717, 4.996923092009037, 5.059917502327665, 5.217397635784953, 5.275518320843765, 5.2802364777422595, 5.486779608385001, 5.504401931599788, 5.702837518456364, 5.765420821290903, 5.878965337394334, 5.88338129476029, 5.928469235383552, 5.9495599033601065, 6.113510583952753, 6.130952258835097, 6.230401634702521, 6.304565291530187, 6.31006372767416, 6.36179549166135, 6.4236909903373025, 6.440975679028779, 6.47853323103818, 6.4847233048671065, 6.529780506026276, 6.617100478469463, 6.679905116506111, 6.68814363665976, 6.712720513524189, 6.714485899994596, 6.812231259543667, 6.816041598146114, 6.834858499715829, 6.85442473526982, 6.873247765988938, 7.05600517691205, 7.08185834839628, 7.089813593583632, 7.120062615320913, 7.121674437419469, 7.213821119552385, 7.215920845587675, 7.29502884007309, 7.352044287477622, 7.767653145457429]
C Index: [53, 57, 11, 14, 56, 28, 15, 54, 13, 55, 52, 12, 10, 39, 35, 8, 1, 32, 3, 34, 4, 49, 50, 18, 36, 21, 6, 31, 46, 33, 5, 16, 42, 47, 2, 17, 25, 45, 26, 37, 40, 48, 51, 19, 22, 7, 20, 38, 41, 29, 43, 23, 9, 24, 44, 27, 30]
Global Index: [85, 89, 20, 23, 88, 49, 24, 86, 22, 87, 84, 21, 19, 63, 56, 13, 1, 53, 3, 55, 4, 77, 78, 31, 57, 34, 6, 52, 74, 54, 5, 29, 66, 75, 2, 30, 42, 69, 43, 61, 64, 76, 79, 32, 39, 10, 33, 62, 65, 50, 67, 40, 16, 41, 68, 44, 51]
H: [3.1467770783030686, 3.245304159357484, 3.7703604735338585, 3.8529733824926358, 3.9575657280324497, 3.977001037889382, 4.170566484638024, 4.170771410746803, 4.486639611502829, 4.659078550244706, 5.330674054653999, 5.535459632077529, 5.59841462128509, 5.676304221284231, 5.720054037647773, 5.751105093207015, 5.813551553744296, 5.818343309772034, 5.877934927321553, 5.911375021307402, 5.931259745154618, 5.965405854339064, 6.382121600852272, 6.504504022409404, 6.720937663904354, 6.767628915933462, 7.038281410367633, 7.074291450303444, 7.19462467753289, 7.249574789718091, 7.307223874640558, 7.414344223748465, 7.464949147547182, 7.497584308190494, 7.50701436032255, 7.520781509285171, 7.58901142708282, 7.651830750308196, 7.685899889043142, 7.6922155711821585, 7.814167821245044, 7.876082775106739, 7.915963000739547, 7.958389670462594, 8.045062453149116, 8.114605212756866, 8.265884373705267, 8.665989790885769]
H Index: [36, 12, 35, 13, 37, 33, 11, 38, 34, 10, 24, 1, 46, 30, 23, 45, 14, 7, 31, 2, 17, 6, 25, 19, 28, 20, 22, 47, 3, 4, 29, 15, 32, 40, 16, 44, 26, 48, 9, 18, 5, 27, 21, 43, 39, 8, 41, 42]
Global Index: [93, 27, 92, 28, 94, 90, 26, 95, 91, 25, 60, 7, 103, 81, 59, 102, 35, 15, 82, 8, 38, 14, 70, 46, 73, 47, 58, 104, 9, 11, 80, 36, 83, 97, 37, 101, 71, 105, 18, 45, 12, 72, 48, 100, 96, 17, 98, 99]
Dummy atom index = 1
Sum Hydrop. =0.0660892138234738 Individual = [0.006878659606450948, 0.00714460840438538, 0.0062201611324821495, 0.006183696272946436, 0.004790813411798085, 0.0005460612772451822, 0.004218459605359013, 0.004143981121758317, 0.0033980928865488557, 0.002945565272046019, 0.0024370921067275514, 0.002457766322135231, 0.001971601429916424, 0.000100333064350869, 0.0006894701906197247, 8.048096939238596e-05, 0.0005557522739166124, 0.0006093943784848252, 0.000495676011757773, 0.0004870175639214833, 0.00039936053329845306, 0.00037513325078797355, 0.0003348681198361288, 0.0003333926167728003, 0.00028927324617484065, 0.0003120433798792545, 0.00024040629343794557, 0.0002362495605963373, 0.00021388518034637293, 0.00021879535219063097, 0.00019750763417077644, 0.00018754999945765983, 0.00019422380521022119, 0.00017327246300654522, 0.00018385895018178274, 0.00016585562158721894, 0.0001746740408821972, 0.0001600684667850365, 0.00015032460707313373, 1.8490826616498213e-05, 0.00013204205254980752, 0.0001452151186035988, 0.0001316926580990614, 0.0001311918192689714, 0.00011686068111528482, 1.5658182940408497e-05, 0.0001238974681238177, 1.2799590910348472e-05, 9.128464730609324e-05, 1.237409028728759e-05, 9.679927496837083e-05, 8.772145654377789e-05, 1.0930939642833149e-05, 8.795112601417017e-05, 8.126157556107125e-05, 7.67580166210755e-05, 6.282482731346269e-06, -0.00046143092352053487, -0.00041813539163271175, -0.0002473363050194506, -0.00022772438508432224, 0.002250152529627265, -0.0002011615677810168, -0.0001657603313803051, 0.0018181005861675958, -0.000120840299060409, -0.00010170036505943295, -5.195798380447734e-05, -4.233650900262011e-05, 0.0004361143111811453, -3.6774520276661465e-05, -3.520032815749193e-05, 0.00037435850907031643, -3.205835670867062e-05, 0.0003500148919849167, -3.005937269095895e-05, -2.9070805453247225e-05, -2.8498449939556198e-05, 0.00030214685002170335, -1.815575956927134e-05, -1.6064396415346337e-05, -1.2938039607654803e-05, -1.2347832318891987e-05, -9.419933531852434e-06, 9.968623084624844e-05, -8.056544683889967e-06, 8.365859922094519e-05, -7.198592841377664e-06, -6.467342091692723e-06, -6.148205774795581e-06, 6.528319834349737e-05, -5.894944283980317e-06, 6.378624060500725e-05, -5.430862796907554e-06, 5.595166883504914e-05, 5.4077549750241455e-05, -4.89832775158507e-06, 4.756756829276593e-05, -4.075635427876169e-06, -3.9162965207857215e-06, 4.1179038038876275e-05, 3.776023477172673e-05, 3.5223511470049614e-05, 3.0278401549005425e-05, 2.0294080062747995e-05]
-------------
C: [2.7538838770637244, 2.8100117218064646, 2.8677462919230456, 2.9734464080632184, 3.2101878769446706, 3.30364314563093, 3.3506924284248836, 3.3541806349199565, 3.575269708931009, 3.692735459766015, 3.783403192949374, 3.8976549246069, 4.023305073784158, 4.9823600298400255, 5.045526099412844, 5.231906920940849, 5.266581846140229, 5.2895641027453815, 5.490956929932553, 5.500367613297122, 5.715566858018881, 5.758055941794503, 5.874837606066668, 5.891573947289054, 5.916159644364706, 5.954741761068977, 6.118730315873022, 6.125610755573966, 6.221902345439279, 6.292798801698768, 6.321467959231992, 6.370630424112834, 6.416022862807536, 6.438453900296595, 6.487972646989833, 6.4897161727736865, 6.536103532153511, 6.6122369390228615, 6.677204794530717, 6.6833241408123145, 6.704051099089131, 6.707848700260377, 6.808352864312519, 6.822804755471249, 6.842296519240964, 6.865422516669631, 6.877419400801923, 7.045076916832547, 7.0785180890730635, 7.0902287814730665, 7.113141485639139, 7.123584453362009, 7.221640071420936, 7.2237065786875005, 7.290620916012452, 7.355155301158928, 7.766890140285081]
C Index: [53, 56, 11, 15, 57, 28, 55, 14, 12, 54, 52, 13, 10, 39, 35, 8, 34, 1, 32, 4, 3, 42, 45, 25, 31, 26, 36, 5, 40, 33, 6, 22, 49, 41, 23, 2, 18, 50, 38, 21, 46, 43, 44, 24, 16, 9, 27, 37, 47, 30, 48, 17, 19, 7, 51, 20, 29]
Global Index: [85, 88, 20, 24, 89, 49, 87, 23, 21, 86, 84, 22, 19, 63, 56, 13, 55, 1, 53, 4, 3, 66, 69, 42, 52, 43, 57, 5, 64, 54, 6, 39, 77, 65, 40, 2, 31, 78, 62, 34, 74, 67, 68, 41, 29, 16, 44, 61, 75, 51, 76, 30, 32, 10, 79, 33, 50]
H: [3.141518366312826, 3.252993264931714, 3.765135013253568, 3.8586366126181577, 3.9586173760793333, 3.9648052329213606, 4.171465445043427, 4.183862700764051, 4.4751278977105855, 4.670311113863863, 5.317333656740466, 5.549126068673465, 5.584041680056302, 5.667760610113972, 5.70703387325287, 5.736889721383271, 5.8231061320428, 5.83296242748718, 5.875129999887871, 5.923587417591999, 5.935486137905897, 5.979452169209428, 6.373401329593448, 6.511923572611788, 6.717114726526633, 6.769962675523844, 7.027651741728593, 7.062780650841429, 7.204619656585599, 7.261188862017551, 7.30007653164595, 7.421331614005105, 7.4622270414285445, 7.498195533123904, 7.50943808053111, 7.509838140504214, 7.581668913610731, 7.6411193511435265, 7.696329736517949, 7.698482836229914, 7.824873912236238, 7.872823515801669, 7.917967151837859, 7.947530946203131, 8.04534046210791, 8.124348896747103, 8.265016360898429, 8.665267944764548]
H Index: [35, 13, 36, 12, 38, 34, 37, 10, 33, 11, 23, 2, 45, 25, 24, 46, 19, 6, 28, 1, 20, 7, 30, 14, 31, 17, 22, 44, 3, 9, 26, 18, 27, 41, 47, 21, 29, 43, 4, 15, 8, 32, 16, 48, 42, 5, 40, 39]
Global Index: [92, 28, 93, 27, 95, 91, 94, 25, 90, 26, 59, 8, 102, 70, 60, 103, 46, 14, 73, 7, 47, 15, 81, 35, 82, 38, 58, 101, 9, 18, 71, 45, 72, 98, 104, 48, 80, 100, 11, 36, 17, 83, 37, 105, 99, 12, 97, 96]
Dummy atom index = 2
Sum Hydrop. =0.06610976777684238 Individual = [0.006918519552569101, 0.007206152094789873, 0.0061739534995357845, 0.006119622628014218, 0.004829577374112733, 0.0005455395154294288, 0.004196514971592126, 0.004181902161877307, 0.003352402093317878, 0.002980858603002379, 0.002471147192858281, 0.0024285440368427406, 0.001944063971274909, 0.00010180491229849199, 0.0006994643766166453, 7.932167863562367e-05, 0.000617772504159183, 0.0005480008634317485, 0.0004936097324345391, 0.0004889863164101922, 0.0003943091560191518, 0.0003779062608833876, 0.0003362532221635142, 0.0003306724049977975, 0.00029285608794535193, 0.00031043059769843355, 0.00023915470635047515, 0.00023751486469926564, 0.00021571079960644747, 0.00022138501119734548, 0.00019526800626698982, 0.00018590030607666477, 0.0001957188629387549, 0.00017370996923372252, 0.0001653175745525531, 0.00018181432005225326, 0.00017357305680167266, 0.0001608488622912768, 1.869420518472685e-05, 0.00014981152121406127, 0.00013319175625431504, 0.0001461821459771237, 0.00013220440601507488, 0.00013030754197928887, 0.00011599469369559355, 1.5486921143404206e-05, 0.0001233816897001532, 1.2940235268064446e-05, 9.159007151437704e-05, 1.2368953781238883e-05, 9.747155910272095e-05, 8.755406707244449e-05, 8.744954934452338e-05, 1.0823414628384913e-05, 8.162056102427158e-05, 7.651959244395308e-05, 6.287278127388818e-06, -0.00046386384726667805, -0.00041493263341469175, -0.00024863213375941293, -0.0002264383744106859, 0.002247787404971633, -0.00020362991618195998, 0.0018168391997794224, -0.00016357093379597295, -0.00012223941566187564, -0.00010056440107640108, -5.265576799411742e-05, -4.176185546376615e-05, 0.0004424278197008032, -3.7090053455960896e-05, -3.566163887057354e-05, 0.00037971815892513057, -3.1753511283226625e-05, 0.00034493520382485173, -3.0143805408524947e-05, -2.8717940306833153e-05, -2.8378258464407546e-05, 0.0002979324677899905, -1.8314775038972204e-05, -1.5945646898432995e-05, -1.2987595587214192e-05, -1.2319049046480212e-05, -9.52059837300999e-06, 0.00010084032860960977, -7.97642077396574e-06, 8.269260263652238e-05, -7.250227960634748e-06, -6.422309761029106e-06, -6.16496464271384e-06, 6.524330781722113e-05, 6.451391463739804e-05, -5.878321737393327e-06, -5.470885734828114e-06, 5.6554210766444656e-05, 5.351646027968116e-05, -4.8677246323753995e-06, 4.706102198220827e-05, -4.088940651377103e-06, -3.908455530701243e-06, 4.1628626418690996e-05, 3.774973854726383e-05, 3.48819713369521e-05, 3.0304694999195425e-05, 2.0308734554232638e-05]
-------------
C: [3.096768475314573, 3.123163297223998, 3.337527517705627, 3.4172596990678863, 3.4463090212558343, 3.449940216012702, 3.737559047265689, 3.7668481413528982, 3.7714891037597447, 3.797840634522216, 3.911166439565875, 4.196655806376452, 4.25277890696778, 4.3753499409097945, 4.514895126756184, 4.77850693767026, 4.8124068330453165, 4.847582201010561, 4.887696218062652, 4.980160506818255, 5.053756797031522, 5.128524614840196, 5.171989222800531, 5.204715120261575, 5.256127262803299, 5.401921907485394, 5.46771020579511, 5.551358736039587, 5.555077473417522, 5.678220792766744, 5.753664870523272, 5.942548280225348, 6.029227190189171, 6.033187694591321, 6.115183637183596, 6.157632282275737, 6.353867196633774, 6.406056024235765, 6.541812657466428, 6.718785248096926, 6.749846598275098, 6.778189638213726, 6.784572854554961, 6.791989908608091, 6.838678432644008, 6.926545083894618, 6.951415930332724, 7.000781371771098, 7.017939377722081, 7.05112579215357, 7.112193105085011, 7.201487913797574, 7.213401599938773, 7.217094266806729, 7.2414591843806715, 7.590832191695224, 7.900227599537479]
C Index: [13, 10, 1, 3, 12, 14, 4, 15, 8, 11, 6, 5, 2, 18, 16, 7, 53, 21, 28, 57, 19, 22, 25, 56, 9, 17, 20, 54, 24, 26, 55, 52, 27, 50, 23, 47, 49, 29, 51, 45, 35, 46, 32, 41, 48, 42, 34, 39, 44, 36, 30, 40, 31, 43, 33, 37, 38]
Global Index: [22, 19, 1, 3, 21, 23, 4, 24, 13, 20, 6, 5, 2, 31, 29, 10, 85, 34, 49, 89, 32, 39, 42, 88, 16, 30, 33, 86, 41, 43, 87, 84, 44, 78, 40, 75, 77, 50, 79, 69, 56, 74, 53, 65, 76, 66, 55, 63, 68, 57, 51, 64, 52, 67, 54, 61, 62]
H: [3.462669603451944, 3.6951929979696554, 4.007096821469012, 4.009851202131369, 4.2111017967298245, 4.374542628884395, 4.433746036057213, 4.488392501339518, 4.6152828997653925, 5.006077055384718, 5.07791343136309, 5.1764252068754635, 5.215796040627374, 5.273239668135725, 5.4657162204299015, 5.516657938424412, 5.529263051629603, 5.6635942316330325, 5.692085407516791, 5.8296473843859085, 5.878038965286069, 6.029210675308774, 6.043549358424294, 6.07147987888149, 6.077501156131932, 6.183179531112861, 6.359262288928672, 6.595346059491742, 6.64903825609099, 6.825776567832571, 6.925262970700064, 6.930276269878813, 6.935501630329878, 7.180930665446453, 7.218570434199189, 7.259277422096067, 7.34425516864829, 7.411688169776238, 7.644842238117327, 7.675454201171269, 7.709395506095834, 7.718839729217662, 7.751540269068834, 7.907732542241197, 8.160458001835465, 8.43708775379551, 8.530549042605042, 8.701806295983022]
H Index: [11, 1, 12, 10, 2, 14, 7, 13, 6, 3, 36, 17, 19, 4, 35, 37, 15, 38, 5, 9, 18, 33, 31, 20, 8, 16, 34, 30, 21, 28, 32, 24, 40, 25, 23, 39, 27, 29, 46, 26, 22, 41, 45, 42, 47, 48, 44, 43]
Global Index: [26, 7, 27, 25, 8, 35, 15, 28, 14, 9, 93, 38, 46, 11, 92, 94, 36, 95, 12, 18, 45, 90, 82, 47, 17, 37, 91, 81, 48, 73, 83, 60, 97, 70, 59, 96, 72, 80, 103, 71, 58, 98, 102, 99, 104, 105, 101, 100]
Dummy atom index = 3
Sum Hydrop. =0.05749624335243325 Individual = [0.005409617377345663, 0.004782303762551696, 0.003859579225549258, 0.003926259303882642, 0.00381384481974678, 0.0038000211198964654, 0.0028501960840400143, 0.002767927095961003, 0.0003416986756816406, 0.002435726457298761, 0.0021747620293236574, 0.001634651905649417, 0.0017026194764277471, 0.0015062105087973426, 0.0011890926764719686, 0.00012482483687142285, 0.0008830961918844884, 0.0009392859120786538, 0.00011191304313225769, 0.0008226588648651891, 0.0007642884899570919, 0.0006437537971573088, 0.0006790623141595961, 0.0006571990885657938, 7.742355979499017e-05, 0.0004897617546246849, 0.000505218957130755, 0.0004646773917093935, 0.0004629525875586886, 0.00040931348392057214, 0.0003795693228483854, 0.0002852290908944998, 0.0002881481995024765, 0.0002870092441973906, 0.0002400044171859163, 0.00023002975796759256, 0.00020826991837786296, 2.4516892333392545e-05, 0.00017258492982374224, 0.00014459212844441285, 0.00012722973216431585, 0.00012367427897314628, 0.00013538590620910308, 0.00012197926322120718, 0.00012825541263412993, 0.00011746695214516023, 0.00011458148041364995, 1.3526314568020136e-05, 0.00010720712831022095, 9.413361161004466e-05, 1.2100239939451789e-05, 8.099221601706814e-05, 8.003302526959281e-05, 8.784798282370457e-05, 8.573343891427263e-05, 7.497624188580934e-06, 5.502435363843195e-06, -0.0003364467330117097, -0.0002666445358236886, -0.00019519764734985635, -0.00019466073848979233, -0.00015917554441627623, -0.00013517453752817573, 0.0013976855595002628, -0.00012062866486822522, 0.0011656522867626526, -7.188246736390947e-05, -6.689980226845235e-05, -6.062359877427731e-05, -5.828317173693913e-05, 0.0006037011820098726, -4.5394603050186345e-05, 0.00047326764468132534, -4.259966507838966e-05, 0.00040859513681539933, 0.00039711805504825986, 0.0003460805763233534, -3.00562455376837e-05, -2.5839356298506755e-05, -2.5471497564103692e-05, -2.4769908858497684e-05, 0.0002701069132839708, -2.215204709260734e-05, -1.8575567722565645e-05, -1.4669395479620355e-05, -1.3902534849354476e-05, -1.165031100113535e-05, -1.0547052870870805e-05, -1.049430965859341e-05, 0.00011452777632304546, -8.1676299698478e-06, -7.86591610684819e-06, 8.285081573766139e-05, -6.936895042686344e-06, -6.484542533884631e-06, 5.6344057263463314e-05, -4.9811223727286295e-06, -4.814893548838157e-06, 5.232526237541952e-05, 5.064187194087667e-05, 4.331878911482633e-05, 3.3644884039440995e-05, 2.5514100447975204e-05, 2.3237560794632592e-05, 1.9580079862935244e-05]
-------------
C: [3.491809889747089, 3.5338313986063277, 3.6656019229182424, 3.746277376436625, 3.8143431591936756, 3.8528503178897506, 4.1399191367483335, 4.2023674429714095, 4.31647549367723, 4.396583096331439, 4.4739662326791505, 4.48801875398686, 4.62262721554013, 4.635138829234444, 4.657383561815735, 4.836366746852456, 4.839547260590927, 4.882725562876474, 4.986697961264854, 5.046212491327353, 5.076951775747628, 5.118548639768949, 5.138324096397957, 5.506769702161554, 5.520915135157949, 5.561621539644886, 5.587648579987525, 5.5908719623005725, 5.683021368875503, 5.6936788157159475, 5.702945265442219, 5.763696806245079, 5.821437744650187, 5.8332527474641545, 5.871352211840335, 5.99671279383502, 6.0093101716762, 6.013327131202652, 6.020832171266474, 6.0854002778504, 6.162680416900354, 6.163648956378177, 6.228054792834742, 6.259030607928851, 6.283061570379851, 6.306045120336608, 6.319803771646607, 6.344633309285771, 6.353238359456778, 6.400117121359966, 6.518508594203735, 6.567287345369193, 6.681512791685428, 6.7050051492932035, 6.779742687635742, 7.042854976079841, 7.1346471603413955]
C Index: [14, 13, 11, 10, 15, 12, 53, 57, 1, 3, 56, 28, 8, 54, 4, 6, 18, 55, 52, 21, 5, 16, 2, 17, 19, 50, 7, 25, 22, 49, 20, 35, 32, 47, 26, 24, 39, 9, 34, 46, 36, 51, 23, 27, 48, 29, 45, 42, 31, 33, 41, 40, 44, 43, 37, 30, 38]
Global Index: [23, 22, 20, 19, 24, 21, 85, 89, 1, 3, 88, 49, 13, 86, 4, 6, 31, 87, 84, 34, 5, 29, 2, 30, 32, 78, 10, 42, 39, 77, 33, 56, 53, 75, 43, 41, 63, 16, 55, 74, 57, 79, 40, 44, 76, 50, 69, 66, 52, 54, 65, 64, 68, 67, 61, 51, 62]
H: [3.9152200120428566, 3.9804334197099505, 4.410438102104084, 4.4206221722914325, 4.478480302882685, 4.595891759639013, 4.864660842478573, 4.901273959084577, 5.032396337580632, 5.115515405834596, 5.143724019973749, 5.255304725936403, 5.275075678350678, 5.305708829615583, 5.4331407808873005, 5.511936571429695, 5.6339696498813785, 5.686402500834601, 5.806062466123072, 5.860674617697783, 5.974156095627164, 6.053350768309244, 6.09524703565606, 6.163701746818758, 6.316116679382077, 6.343424330442263, 6.38300027490953, 6.489547411957632, 6.497725488395105, 6.531446414081879, 6.596755865753353, 6.653138073854815, 6.660455787063172, 6.779149450415557, 6.811664285256234, 6.832028897654211, 6.847957844267061, 6.853271812213117, 6.94827675135961, 7.107868043393247, 7.14614056693202, 7.193650434864592, 7.320530073416424, 7.648823110219166, 7.658846821116086, 7.743060724310743, 7.86653699792318, 7.958160826276608]
H Index: [12, 11, 36, 13, 10, 1, 35, 14, 2, 33, 37, 17, 7, 38, 6, 34, 31, 19, 3, 30, 24, 15, 4, 20, 23, 16, 18, 28, 5, 25, 9, 46, 32, 45, 21, 40, 8, 29, 22, 27, 26, 39, 47, 41, 48, 44, 42, 43]
Global Index: [27, 26, 93, 28, 25, 7, 92, 35, 8, 90, 94, 38, 15, 95, 14, 91, 82, 46, 9, 81, 60, 36, 11, 47, 59, 37, 45, 73, 12, 70, 18, 103, 83, 102, 48, 97, 17, 80, 58, 72, 71, 96, 104, 98, 105, 101, 99, 100]
Dummy atom index = 4
Sum Hydrop. =0.044574531197669034 Individual = [0.003644200321478067, 0.0034942384047275798, 0.002780091284729709, 0.0025646148460915087, 0.0026395374181389206, 0.002539828407655617, 0.001730078095791914, 0.0017906512806672302, 0.0014500676240750974, 0.0014745660516957565, 0.001364762755338201, 0.00016690080154638663, 0.00014588099282141095, 0.0011616112051662123, 0.001136056754253666, 0.0008621887536503979, 0.0009468634200646878, 0.0009068495471548795, 0.0007418469863412987, 0.0007700763211033499, 0.0006778250318717169, 0.0006502080089910663, 0.0007023121920452697, 0.00044101163712444673, 0.0004790413811653347, 0.00045993288650392054, 5.5577020041247504e-05, 0.0004466745070762843, 0.00036974722497422173, 0.0004030349585085498, 0.00039931750572280803, 0.00034108924515961503, 0.0003546971670754273, 0.000318170759377628, 0.0003374272419750686, 0.00029767114168279863, 3.6456078801919415e-05, 3.6309929942426674e-05, 0.0002905773913790295, 0.0002472600674694386, 0.0002288714628563315, 0.0002519052848777595, 0.0002143877245076926, 0.00022898843764591984, 0.00022355121757272422, 2.709565185510189e-05, 0.00021548651839450964, 0.00021020196576818862, 0.00018916177585472698, 0.000198856806069035, 0.00016034574195501264, 0.00015271197332575795, 0.00015008312809539206, 0.00014659841391876686, 1.6872341769200092e-05, 1.2969019670932611e-05, 1.1831568157013204e-05, -0.00021398147178326886, -0.00020047228808503132, -0.00013040843601418026, -0.00012908708712402922, -0.0001218303057468264, -0.00010833385220398205, -8.280170064621784e-05, -7.98248998339739e-05, -7.001525208778215e-05, -6.443094544497623e-05, 0.0006871791240296973, -5.602537521418324e-05, 0.0006025937973687562, 0.0005844143193701204, 0.0005144910867337382, -4.3344198780025525e-05, -3.8364777765756185e-05, -3.640502964034836e-05, -3.2299345818985166e-05, -3.0582710262373085e-05, -2.730181947039299e-05, -2.5223060481825178e-05, 0.0002653559086006206, -2.258774937025159e-05, -1.9394562891866125e-05, -1.8872108897731956e-05, -1.813981358103704e-05, -1.63064711306185e-05, 0.00017743307995391597, -1.5637361655484985e-05, 0.00016070383649825724, 0.00015189370059794433, -1.3744704955525901e-05, 0.00013391021813362642, -1.181588907639183e-05, 0.0001270130852003224, 0.00012500592892926714, -1.13343465185892e-05, -1.0307097045501292e-05, -8.786719197953821e-06, -8.45678329327028e-06, 8.847044814758129e-05, 7.792828170972935e-05, 5.6120204637757435e-05, 5.556048186710433e-05, 5.107311776077425e-05, 4.514059777339154e-05, 4.118846270066437e-05]
-------------
C: [3.5380482723981976, 3.6219609869363407, 3.7618399907958153, 3.8012736588380114, 3.805704286752898, 3.8657066907910997, 4.052213352102386, 4.07153022860462, 4.112089803513707, 4.169646713793599, 4.288945132804986, 4.451052153607837, 4.507220804583984, 4.783301438169408, 4.873176172775993, 5.021222725938856, 5.116508246121683, 5.14434918727397, 5.240602498025944, 5.303284967224551, 5.314027183306548, 5.383513907757753, 5.424893346389587, 5.449655793677887, 5.488199915430881, 5.523878590983522, 5.540226769920783, 5.6047386782922555, 5.611084317241971, 5.668971679932077, 5.785176299017883, 5.786507038113236, 5.832221047744535, 5.846896842707072, 5.876369360359535, 5.931763993074538, 5.994911067675716, 6.0257023207775635, 6.033000744299652, 6.059589145123429, 6.061168551871205, 6.095187815539701, 6.117233859816864, 6.145423181271772, 6.221202634503735, 6.3109221551309105, 6.347574263698646, 6.363556893262993, 6.39146162210036, 6.433722412463981, 6.450542981293158, 6.483344296081292, 6.49475650726227, 6.562182786833846, 6.633200418430309, 6.8332519762505255, 7.114795967852233]
C Index: [57, 53, 54, 11, 14, 56, 52, 55, 15, 13, 28, 12, 10, 35, 32, 39, 34, 49, 50, 1, 36, 3, 21, 18, 46, 8, 31, 4, 33, 47, 17, 6, 16, 48, 42, 51, 5, 37, 40, 2, 45, 20, 19, 25, 26, 43, 22, 29, 41, 38, 7, 44, 23, 24, 27, 9, 30]
Global Index: [89, 85, 86, 20, 23, 88, 84, 87, 24, 22, 49, 21, 19, 56, 53, 63, 55, 77, 78, 1, 57, 3, 34, 31, 74, 13, 52, 4, 54, 75, 30, 6, 29, 76, 66, 79, 5, 61, 64, 2, 69, 33, 32, 42, 43, 67, 39, 50, 65, 62, 10, 68, 40, 41, 44, 16, 51]
H: [3.8882802996395833, 4.074441133305852, 4.240944985189611, 4.410872523936523, 4.57582053125212, 4.658070376756631, 4.7246875743839345, 4.9479570307075935, 5.035112007988799, 5.102417562624799, 5.121014816297115, 5.215019108747433, 5.381332472897239, 5.447834496535507, 5.517343346441592, 5.530821895558705, 5.559527824561579, 5.664351649911079, 5.816129125040412, 5.909031008089971, 5.979449748772612, 6.163987582109545, 6.254783813814693, 6.282182619565575, 6.295810152007428, 6.30374501744911, 6.403245078719747, 6.412454329491198, 6.5258904612219855, 6.539424697134841, 6.6517933941246765, 6.660323958832404, 6.686805003457475, 6.724734404452365, 6.874013009331305, 6.937681132294405, 6.963979914800716, 6.995287195074191, 7.007531110338701, 7.009972310390207, 7.112512280418863, 7.266368038236251, 7.276208810978242, 7.351260895833667, 7.419540907524203, 7.6715730440981, 7.708988466556206, 7.9518912668476585]
H Index: [36, 12, 33, 35, 13, 11, 34, 37, 24, 10, 38, 30, 31, 23, 17, 1, 14, 46, 45, 2, 25, 7, 22, 19, 28, 6, 29, 20, 47, 32, 16, 3, 15, 26, 40, 48, 4, 18, 27, 44, 21, 39, 43, 5, 9, 8, 41, 42]
Global Index: [93, 27, 90, 92, 28, 26, 91, 94, 60, 25, 95, 81, 82, 59, 38, 7, 35, 103, 102, 8, 70, 15, 58, 46, 73, 14, 80, 47, 104, 83, 37, 9, 36, 71, 97, 105, 11, 45, 72, 101, 48, 96, 100, 12, 18, 17, 98, 99]
Dummy atom index = 5
Sum Hydrop. =0.04381674442204869 Individual = [0.0034795346660697465, 0.00290410339125802, 0.0027818240615902173, 0.0024273788860502306, 0.0026624388239308524, 0.0025073844293606344, 0.0018886689736230325, 0.002040952502736953, 0.0019598286326202342, 0.0018502118143943654, 0.00020366434159874383, 0.0013963960771555541, 0.0011982532624483363, 0.0009091767567352501, 0.0009155508873656902, 9.792439107556187e-05, 0.0007178020778502763, 0.0006980934192719222, 0.0006340321237653816, 0.0005405331666346653, 0.0005347577186524315, 0.0005495986100157253, 0.0005273206318878655, 0.0005144232272162316, 0.00044927764059846586, 5.923661197259214e-05, 0.00042650077983251374, 0.0004405233453172768, 0.0004377367937944423, 0.00037497872287678733, 0.0003338409447673202, 0.00033339698503329226, 0.000318499185450281, 0.00034578087904148534, 0.00033573855911626937, 0.0003176461814862764, 0.00027067799325569886, 3.586335659008811e-05, 0.0002605618395678861, 0.0002795309372921166, 0.00027908979270861506, 0.00026975504434553467, 0.0002638730878615124, 0.00025653854809949553, 0.00023781652786905637, 0.0002174089113567221, 0.0001902362463462295, 2.5581296882193323e-05, 0.00018206783605288437, 2.3847895506833113e-05, 2.3450115163523883e-05, 0.00018297651723693783, 0.0001641998786590261, 0.0001691049169652714, 0.00015751200871189213, 1.5993244445894652e-05, 1.2068785628824244e-05, -0.00021982442141251141, -0.00018248506052932523, -0.00015449542089442287, -0.00013035179604615164, -0.0001105302137972148, -0.00010180294837341323, -9.524208071784568e-05, 0.0008357771254342609, -6.982537168256102e-05, -6.528040275166889e-05, 0.0007029629555269923, -5.8328471386217774e-05, -4.9391432104290075e-05, -4.6213637861239325e-05, -4.311047885404392e-05, -4.2533310580690154e-05, -4.1329710268588624e-05, 0.000408285776562799, 0.00035079074824215256, -2.9139027731194914e-05, -2.715767496998154e-05, 0.0002477280147880337, -2.0621322824932874e-05, -2.0063993155133543e-05, -1.979242504185748e-05, 0.00021541663592133053, -1.7776268975088178e-05, -1.76133143529897e-05, 0.00017250540178153384, -1.5513098719575522e-05, -1.3864284163981474e-05, -1.3746517015100295e-05, -1.3387272463071082e-05, -1.2889010362623316e-05, 0.00012179094417434313, 0.00011427843462861543, 0.00011131222572946216, -9.833768695243931e-06, -9.714098972585341e-06, 0.00010630865488805999, -8.746006204893864e-06, 8.226543023093456e-05, 8.145984511863269e-05, 7.556990455608499e-05, 7.058220820799878e-05, 5.485788695808799e-05, 5.284327965169059e-05, 4.144750741493862e-05]
-------------
C: [3.0920838053784525, 3.1411989441328645, 3.3596852196205274, 3.420677674276247, 3.4406850235829682, 3.4778945681542006, 3.7736743219795597, 3.791182483019792, 3.791535572729449, 3.8034594929777357, 3.9138373546543206, 4.228849538288251, 4.269795265471685, 4.338442420991569, 4.4912588451920845, 4.766726863402019, 4.804165738908571, 4.809095783433264, 4.888342223040271, 4.962672061961561, 5.033888836393306, 5.169995917319577, 5.211800249737762, 5.22016867820511, 5.29461300161373, 5.363861779722921, 5.440397312734682, 5.532395184166432, 5.588749414407185, 5.7243874539594835, 5.756922797788537, 5.933690545883193, 5.989137948447942, 6.062394703914482, 6.118177659902374, 6.154232642504261, 6.31414515898384, 6.365390761729646, 6.51058338836671, 6.7390650382482775, 6.746323463640539, 6.749725746847978, 6.764660165446443, 6.810755625880942, 6.821706968436759, 6.949597145299365, 6.949830182404344, 6.990394187371093, 7.0317517006428485, 7.038605788995596, 7.148194138741735, 7.211829735945494, 7.215971963712322, 7.230489858827316, 7.2312173499726535, 7.563825152393997, 7.907121905091059]
C Index: [12, 10, 1, 4, 15, 13, 3, 14, 8, 11, 5, 6, 2, 25, 22, 9, 26, 53, 28, 56, 24, 16, 57, 18, 7, 23, 27, 55, 19, 21, 54, 52, 45, 20, 41, 17, 42, 30, 44, 35, 40, 50, 34, 43, 47, 49, 32, 39, 31, 51, 29, 36, 46, 48, 33, 38, 37]
Global Index: [21, 19, 1, 4, 24, 22, 3, 23, 13, 20, 5, 6, 2, 42, 39, 16, 43, 85, 49, 88, 41, 29, 89, 31, 10, 40, 44, 87, 32, 34, 86, 84, 69, 33, 65, 30, 66, 51, 68, 56, 64, 78, 55, 67, 75, 77, 53, 63, 52, 79, 50, 57, 74, 76, 54, 62, 61]
H: [3.4462444522594056, 3.685352605371093, 3.985251377463555, 4.050711280770871, 4.254647558580889, 4.336417967045905, 4.442771648235052, 4.518174671050402, 4.6431490699467535, 5.020431020335174, 5.052481899795869, 5.127578616574995, 5.257051950644183, 5.267294387009439, 5.482630801350025, 5.509230163106394, 5.51881550778024, 5.672064198955741, 5.684879443425279, 5.872326062055352, 5.9048190154830875, 5.994778994046947, 6.002496346594863, 6.110946125106974, 6.119471413927026, 6.159943863255238, 6.368800029263883, 6.554219970938081, 6.676125247886486, 6.862506836951424, 6.8904701246608235, 6.898567715092132, 6.903823443352894, 7.20405472910552, 7.22221282261294, 7.223771793899619, 7.363093884288304, 7.3898998722426565, 7.62841321865105, 7.682402247181241, 7.699692387420747, 7.746823235959182, 7.758731072269663, 7.941092328543226, 8.12963609147323, 8.41261978246397, 8.540441180712786, 8.706157825053513]
H Index: [10, 2, 13, 11, 1, 19, 6, 12, 7, 3, 35, 20, 9, 14, 36, 38, 18, 37, 8, 4, 15, 28, 34, 5, 17, 21, 33, 25, 16, 31, 41, 27, 23, 30, 42, 24, 32, 26, 45, 29, 22, 46, 40, 39, 44, 43, 47, 48]
Global Index: [25, 8, 28, 26, 7, 46, 14, 27, 15, 9, 92, 47, 18, 35, 93, 95, 45, 94, 17, 11, 36, 73, 91, 12, 38, 48, 90, 70, 37, 82, 98, 72, 59, 81, 99, 60, 83, 71, 102, 80, 58, 103, 97, 96, 101, 100, 104, 105]
Dummy atom index = 6
Sum Hydrop. =0.057054869489778885 Individual = [0.00543501910213166, 0.004696824970202918, 0.0037750003170769248, 0.0039128623551821845, 0.0038353543020827937, 0.003695265007670662, 0.002749097067348907, 0.002701384333094514, 0.00033491702496312326, 0.00242207883303971, 0.002168961174849134, 0.0015828644489679514, 0.0016738922029902288, 0.0015628395946752254, 0.0012175331957710923, 0.00012630397781033487, 0.0009809646072427604, 0.0008860250132487194, 0.00011184077009621772, 0.0008371724289847604, 0.0007796251936118103, 0.0006176025008326052, 0.0006525592044313985, 0.0006471210953579254, 7.450046638625678e-05, 0.0005087614209642542, 0.0005192081211067741, 0.00047357340897936917, 0.0004476236020037058, 0.00039084640847763874, 0.0003783347258081092, 0.00028776679697923424, 0.0002999345160904689, 0.00027874779590191727, 0.0002392869131559236, 0.00023081310707933348, 0.000216709329580728, 2.5534427138113372e-05, 0.00017805967220377002, 0.00012860888852776498, 0.0001276787701864809, 0.0001401868776320809, 0.00013810882400428788, 0.00013188713166907055, 0.00011840772874248905, 0.0001147900691268406, 0.00011476332189812042, 1.3667547126164527e-05, 9.597514624372854e-05, 0.0001050142789155456, 1.167236694118218e-05, 8.015892522316681e-05, 7.982757543427257e-05, 8.667905381354376e-05, 8.661601850100415e-05, 7.702871911213631e-06, 5.464630362515098e-06, -0.0003420185552148321, -0.00026928137523015127, -0.0001995087440912692, -0.00018686719214225386, -0.00015239287409971863, -0.00014042751888198443, 0.0013851273497102064, -0.00011708905180355754, 0.0011336184251801837, -7.085803884143085e-05, -6.862298542183531e-05, -6.36583706072133e-05, 0.0006135532523217764, -5.535766078746348e-05, -4.463322967188306e-05, 0.0004767960583207678, -4.3047059966655234e-05, 0.0004051489644444822, 0.0003999900086629468, 0.00033162106607713686, -2.926201993987485e-05, -2.674454290067765e-05, -2.6538940209039715e-05, 0.00026122259200026085, -2.360923688613385e-05, -2.267279119089915e-05, -1.8399240996989357e-05, -1.5285267743323935e-05, -1.3531011443122777e-05, -1.1230155392411242e-05, 0.00011980301918211555, -1.0832400917095777e-05, -1.0775618109674453e-05, -7.980928146303002e-06, 8.597926729855063e-05, -7.825108866371486e-06, -6.807436098367595e-06, -6.62738011915741e-06, 5.7277380678439306e-05, -4.9466332600202815e-06, -4.861840429589297e-06, 5.088131561545066e-05, 5.0279022359500764e-05, 4.1897521956748726e-05, 3.469803025671421e-05, 2.6146078811353595e-05, 2.300882484300864e-05, 1.949506168989217e-05]
-------------
C: [3.4926182510520585, 3.539546858223168, 3.671423169126144, 3.7613263626937816, 3.8293228424396295, 3.8721750982193845, 4.136069775319248, 4.189919851578025, 4.333630756191676, 4.4071430384508465, 4.474455865827755, 4.48872227985115, 4.6199292152436415, 4.638997123662252, 4.6789846078440664, 4.830161427771643, 4.845786026514309, 4.879455732945141, 4.976139064413032, 5.0309635131828125, 5.0967037200090965, 5.115307729608253, 5.152416685121481, 5.492195260371407, 5.517401146666695, 5.537835124632461, 5.590609481474471, 5.614952503003698, 5.669724342399097, 5.694014977191801, 5.704745389338152, 5.751066802238874, 5.804210863851495, 5.8130822505966915, 5.893540449943696, 5.9972060010396, 6.013222776542726, 6.014496336611276, 6.034949456037801, 6.064710642738093, 6.146218918129048, 6.146449066977644, 6.2464655346955045, 6.265543599045714, 6.275377227874366, 6.28782275510267, 6.331751578334095, 6.3459233468693474, 6.351633694257478, 6.388526622830912, 6.530397250955906, 6.569512398280109, 6.688589318006909, 6.707408112727186, 6.760254796534069, 7.058706023005597, 7.132093267060146]
C Index: [15, 12, 11, 10, 14, 13, 53, 56, 1, 4, 57, 28, 55, 8, 3, 25, 5, 54, 52, 26, 6, 22, 2, 23, 24, 45, 9, 18, 42, 27, 16, 35, 34, 41, 21, 39, 32, 19, 7, 40, 31, 44, 17, 43, 20, 30, 50, 36, 49, 33, 47, 46, 51, 48, 38, 29, 37]
Global Index: [24, 21, 20, 19, 23, 22, 85, 88, 1, 4, 89, 49, 87, 13, 3, 42, 5, 86, 84, 43, 6, 39, 2, 40, 41, 69, 16, 31, 66, 44, 29, 56, 55, 65, 34, 63, 53, 32, 10, 64, 52, 68, 30, 67, 33, 51, 78, 57, 77, 54, 75, 74, 79, 76, 62, 50, 61]
H: [3.908767284662643, 3.981768449420752, 4.395275265309181, 4.436893639044688, 4.501336613300343, 4.601462635074777, 4.870934195817659, 4.892357902790059, 5.056658543130249, 5.09619370696979, 5.140609259042659, 5.236450493724824, 5.287381433038004, 5.310055956498881, 5.452261254362378, 5.511690331724511, 5.608954897798728, 5.712289678359716, 5.818443220142092, 5.835394285351882, 5.953851604723015, 6.053814916314297, 6.0966379700491995, 6.186338192011801, 6.3122651091675115, 6.3351376466916385, 6.398217973442641, 6.5020274238389, 6.504700243307054, 6.538143610385245, 6.620362014812206, 6.638010165897902, 6.646347918954084, 6.7700741231740516, 6.811944417339087, 6.82480559778381, 6.838519425273708, 6.867624245693248, 6.93750917873114, 7.1146015789303085, 7.14517440609879, 7.1770835605549825, 7.299020851583996, 7.640881004725694, 7.666377491741231, 7.741848701523986, 7.881144920537998, 7.954286199201931]
H Index: [13, 10, 35, 12, 11, 2, 36, 19, 1, 34, 38, 20, 6, 37, 7, 33, 28, 14, 3, 25, 23, 18, 9, 17, 24, 21, 15, 8, 31, 30, 4, 45, 27, 46, 41, 16, 26, 5, 22, 32, 29, 42, 44, 43, 40, 47, 39, 48]
Global Index: [28, 25, 92, 27, 26, 8, 93, 46, 7, 91, 95, 47, 14, 94, 15, 90, 73, 35, 9, 70, 59, 45, 18, 38, 60, 48, 36, 17, 82, 81, 11, 102, 72, 103, 98, 37, 71, 12, 58, 83, 80, 99, 101, 100, 97, 104, 96, 105]
Dummy atom index = 7
Sum Hydrop. =0.04440285659995691 Individual = [0.003641255681277571, 0.0034743241898896765, 0.0027639547019597, 0.0025263089479170544, 0.0026002926546073455, 0.0024912179872267383, 0.0017367506259340138, 0.0018130798775472113, 0.0014254034979901855, 0.0014590766470847782, 0.0013640946858210444, 0.0001667834238097061, 0.0011794139061151526, 0.0001435123742997063, 0.001111779886848047, 0.0009557923590437387, 0.0008541056847642824, 0.0009098196441571173, 0.0007497215724596686, 0.0007819091883688293, 0.0006645680264430769, 0.0006523186931553843, 0.0006924842086844538, 0.0004474862025397288, 0.000480727688162048, 0.0004710041923568511, 5.541270533983397e-05, 0.0004360468172401651, 0.0004128060116554475, 0.00040289949645191497, 0.0003618014482876437, 0.0003454245233538736, 0.00036086042734783416, 0.00032465358277482145, 0.00033002277579367964, 3.6900030815637506e-05, 0.00029279694346192133, 0.00029242428631753327, 3.5533251894452935e-05, 0.00025242907610827184, 0.00023267021092226477, 0.00025627550381974816, 0.00021047679943809056, 0.00022750188419522286, 0.00022527567888610403, 2.7593924787394654e-05, 0.0002129272464170147, 0.00019055056995654268, 0.00020873560960310713, 0.00020117506452007515, 0.00015845073334073187, 0.00015237255885259133, 0.00014902480991371545, 0.00014624656619854746, 1.7204372913512133e-05, 1.2765067826992582e-05, 1.1861823337242179e-05, -0.0002153667003297148, -0.0002002048301960838, -0.00013240086511135104, -0.00012700364715722916, -0.0001190772961307313, -0.00010773201574233875, -8.228388224810115e-05, -8.053980546802828e-05, -6.833696939643116e-05, -6.568796554587216e-05, 0.000689322859596618, -5.709171153609346e-05, 0.000595223865213961, 0.0005818793101668436, 0.0005047472240458388, -4.3354873156928344e-05, -3.933656703079701e-05, -3.547469993451173e-05, -3.190192085034424e-05, -3.136570684846936e-05, -2.786183519278268e-05, -2.521135596514536e-05, 0.00026498707251379006, -2.208218667838775e-05, -1.9469406452717023e-05, -1.902914585504446e-05, -1.7865857146573905e-05, 0.00017667141379234584, -1.6061244554302123e-05, -1.553298508014709e-05, 0.00015695466364682185, 0.00015420900320692928, -1.393998771298173e-05, 0.00013513102843167203, 0.00012958986705268334, -1.166162859781073e-05, -1.1502794635056562e-05, 0.00012257152855945136, -1.041867911748702e-05, -8.727752262756081e-06, -8.46495785439786e-06, 8.994833512430389e-05, 7.962261498050652e-05, 5.6567691866516324e-05, 5.514364567634869e-05, 5.113505707163673e-05, 4.44859803553928e-05, 4.1348362208846485e-05]
-------------
C: [3.533092516581107, 3.617560520348377, 3.752345324451833, 3.8068874502498846, 3.8155538344591267, 3.857285152450389, 4.0392123591674665, 4.059065951650084, 4.11756751537892, 4.182798305396916, 4.289681307708758, 4.460014501696616, 4.519736851495786, 4.768075202625046, 4.859742827570767, 5.006730344544151, 5.100740804668084, 5.140342318257285, 5.240750172416811, 5.301554677605543, 5.317257402748549, 5.398590906101292, 5.435179784979569, 5.4624935877680265, 5.481655779435124, 5.525486232759545, 5.537584909274119, 5.597860346479996, 5.616509239066157, 5.670251548765372, 5.792875310596626, 5.800444947660062, 5.841890189623263, 5.844770339599645, 5.864264718624211, 5.930427995433733, 6.005797965435431, 6.015865597911549, 6.02052613325695, 6.05172359264781, 6.071543772813635, 6.102924725126336, 6.127266438577057, 6.148595139790983, 6.220854149326791, 6.300687548415036, 6.352903440888166, 6.368298866232704, 6.384081026065243, 6.419574122799617, 6.46437497043806, 6.475529528697243, 6.493233703957729, 6.566141359214273, 6.633859295930083, 6.84165937744673, 7.110132347100811]
C Index: [56, 53, 55, 11, 15, 57, 52, 54, 14, 12, 28, 13, 10, 35, 34, 39, 32, 42, 45, 31, 1, 4, 26, 25, 40, 36, 8, 33, 3, 41, 23, 5, 43, 22, 49, 44, 6, 38, 46, 50, 2, 27, 24, 18, 21, 48, 16, 30, 47, 37, 9, 51, 17, 19, 20, 7, 29]
Global Index: [88, 85, 87, 20, 24, 89, 84, 86, 23, 21, 49, 22, 19, 56, 55, 63, 53, 66, 69, 52, 1, 4, 43, 42, 64, 57, 13, 54, 3, 65, 40, 5, 67, 39, 77, 68, 6, 62, 74, 78, 2, 44, 41, 31, 34, 76, 29, 51, 75, 61, 16, 79, 30, 32, 33, 10, 50]
H: [3.8870703579833097, 4.08346603141532, 4.232306487842331, 4.403721082909275, 4.578006986699455, 4.672511010674704, 4.711246842705151, 4.949758591914248, 5.023337508582977, 5.110362094050871, 5.120651935566706, 5.210168279776691, 5.383620984394625, 5.431988833428079, 5.527093727928337, 5.546628970650834, 5.573671223983897, 5.650988381746834, 5.801253055792749, 5.919253787082113, 5.966258391998726, 6.178558482243963, 6.242820223989525, 6.286184580456476, 6.287149626289537, 6.316286273269683, 6.396880156601314, 6.410431347890534, 6.516166649490463, 6.538933001634065, 6.657554326222467, 6.671119499910888, 6.696269519147456, 6.714739778996876, 6.879432749216389, 6.927766844550396, 6.978638396128534, 6.99523459745007, 7.000535612776944, 7.001425548057441, 7.112333974836602, 7.2625170432081, 7.270536349903107, 7.364432561604929, 7.427931948748732, 7.680160350937183, 7.703815927185071, 7.947574670715317]
H Index: [35, 13, 34, 36, 12, 10, 33, 38, 23, 11, 37, 25, 28, 24, 20, 2, 19, 45, 46, 1, 30, 6, 22, 14, 31, 7, 26, 17, 44, 27, 21, 3, 18, 29, 41, 43, 9, 47, 15, 32, 16, 48, 42, 8, 4, 5, 40, 39]
Global Index: [92, 28, 91, 93, 27, 25, 90, 95, 59, 26, 94, 70, 73, 60, 47, 8, 46, 102, 103, 7, 81, 14, 58, 35, 82, 15, 71, 38, 101, 72, 48, 9, 45, 80, 98, 100, 18, 104, 36, 83, 37, 105, 99, 17, 11, 12, 97, 96]
Dummy atom index = 8
Sum Hydrop. =0.04386953479938934 Individual = [0.0034968211887455064, 0.0029169109601715278, 0.002808362339564418, 0.0024137902648356025, 0.0026363437291247863, 0.0025285896283388488, 0.00191338385649418, 0.0020665507000861365, 0.0019491226051023367, 0.0018260378954212456, 0.00020351446419642556, 0.0013839370041134561, 0.0011833493321086231, 0.0009231260241033002, 0.0009279327773931133, 9.935388204355437e-05, 0.000729209678084381, 0.0007008961996013003, 0.0006339385003707735, 0.0005414692551802229, 0.0005330331207872406, 0.000541374466173732, 0.0005219241832927292, 0.0005078613777071854, 0.00045222741591663537, 0.0004328341947172345, 5.843023496838506e-05, 0.0004435638558901447, 0.00043536853552463093, 0.0003744991062848626, 0.00033128056829926825, 0.0003287823618180608, 0.00034751642495867196, 0.00031452722101376745, 0.0003398272502381057, 0.000318070839643337, 0.00026774713255589897, 3.621787528234234e-05, 0.0002638326055204401, 0.00028173827212184244, 0.0002762091439706663, 0.00026767602691263, 0.00026123899578693523, 0.0002557261076612154, 0.00023789941784597626, 0.0002196454314905793, 0.00018922514025629739, 2.5460278224222107e-05, 0.00018341657633284914, 2.4187700602481236e-05, 2.3127986401798228e-05, 0.00018441203798056366, 0.00016445011325753376, 0.00016843682612697976, 0.00015740826177542186, 1.5859346479079367e-05, 1.2125201316362462e-05, -0.00022009055710890967, -0.00018084556073875204, -0.00015583581031784134, -0.00013128734048660113, -0.00011028880841638936, -0.00010034341293586531, -9.653084553880812e-05, 0.0008342727772821839, -7.065238978732663e-05, -6.476383520102367e-05, 0.0007032180935272762, -5.861210018627588e-05, -4.927852848393938e-05, -4.695175614040966e-05, -4.269217785030445e-05, -4.1866269221904666e-05, -4.07492819584663e-05, 0.00041377842702503665, 0.0003560481434382934, -2.8842663305629257e-05, -2.7518294853098215e-05, 0.0002441445650683583, -2.086950951455249e-05, -1.9983858294451853e-05, -1.9964582257901694e-05, 0.00021273191088239137, -1.7889774386025042e-05, -1.7648981829012417e-05, 0.00017419099373916188, -1.5520728315984423e-05, -1.3784642589444014e-05, -1.3598914086231909e-05, -1.3261166121872245e-05, -1.301847710174458e-05, 0.00012113265442751763, 0.0001154170589102781, 0.00010969245821630093, 0.00010788700338233806, -9.782292172848565e-06, -9.773590438484323e-06, -8.747565805661314e-06, 8.258284478239671e-05, 8.192323595997361e-05, 7.458104975989782e-05, 6.99924278852191e-05, 5.4388822333634355e-05, 5.311732173191039e-05, 4.162680626710077e-05]
-------------
C: [2.96924989079891, 3.067581636859112, 3.1414189431728166, 3.3266221682747545, 3.3381049339286535, 3.4258637158223366, 3.793983778558059, 3.942757530992659, 4.020972229082538, 4.183949812192287, 4.228033272395077, 4.319039677726951, 4.349542490852292, 4.520725274744643, 4.609231069904994, 4.764500412314022, 4.774018547564419, 4.884547932692129, 4.946029858958104, 5.031539027801365, 5.124773836157128, 5.175878545659463, 5.355392877297565, 5.35802822004913, 5.516878718457975, 5.567613975814984, 5.597765330138777, 5.701892668259366, 5.792677227862112, 5.878870323888593, 5.929219074539573, 5.980950151867541, 6.033904504947529, 6.192512654365804, 6.2410415757462925, 6.306036555805719, 6.392703479867761, 6.392721864702082, 6.413091164883261, 6.466018786045573, 6.572477090457548, 6.601041273900243, 6.6384918347944195, 6.645021254799532, 6.683130528372924, 6.768211061049215, 6.788427857400792, 6.829719804310172, 6.8779238286191, 6.93994449500154, 7.012837505123432, 7.083406264031629, 7.115884974075381, 7.214863721184073, 7.299495411832458, 7.370303463392798, 7.693893106683936]
C Index: [55, 56, 52, 53, 54, 57, 35, 34, 39, 11, 32, 28, 15, 31, 14, 42, 36, 33, 12, 40, 45, 13, 38, 10, 49, 43, 46, 41, 37, 44, 50, 26, 48, 25, 23, 1, 4, 47, 51, 8, 3, 30, 27, 22, 21, 5, 18, 24, 17, 6, 2, 16, 20, 19, 29, 9, 7]
Global Index: [87, 88, 84, 85, 86, 89, 56, 55, 63, 20, 53, 49, 24, 52, 23, 66, 57, 54, 21, 64, 69, 22, 62, 19, 77, 67, 74, 65, 61, 68, 78, 43, 76, 42, 40, 1, 4, 75, 79, 13, 3, 51, 44, 39, 34, 5, 31, 41, 30, 6, 2, 29, 33, 32, 50, 16, 10]
H: [3.4429124466222056, 3.591683070370534, 4.001620086036788, 4.125468521175557, 4.1303170353053344, 4.48005892525942, 4.600903668254873, 4.669492522610087, 4.715917783598969, 4.845118203038861, 4.922425294135284, 4.9572529370915435, 5.123032132370132, 5.339136143767824, 5.45987530122714, 5.517712980046083, 5.640618325425541, 5.800443967146443, 5.828341973356214, 5.9730324276182, 6.088908239248926, 6.224578346476688, 6.293237988231938, 6.319049994218771, 6.340067505724207, 6.412639340062468, 6.508204629092184, 6.583414686918401, 6.649634476192051, 6.7761700027442835, 6.81948203091406, 6.957153138291736, 7.030104108977708, 7.08876598267038, 7.098786334197038, 7.107185815122417, 7.215524359737747, 7.418313548586167, 7.497390825836426, 7.52280650367194, 7.559986062035107, 7.686208720548257, 7.869194103211852, 7.888839787319377, 8.137287080757904, 8.257927905261752, 8.27762966454262, 8.532611748590309]
H Index: [34, 35, 33, 23, 36, 13, 24, 45, 25, 46, 12, 38, 37, 28, 10, 30, 22, 44, 11, 20, 26, 31, 43, 47, 19, 29, 2, 27, 48, 17, 1, 14, 32, 41, 6, 21, 7, 18, 42, 16, 3, 15, 40, 9, 39, 8, 4, 5]
Global Index: [91, 92, 90, 59, 93, 28, 60, 102, 70, 103, 27, 95, 94, 73, 25, 81, 58, 101, 26, 47, 71, 82, 100, 104, 46, 80, 8, 72, 105, 38, 7, 35, 83, 98, 14, 48, 15, 45, 99, 37, 9, 36, 97, 18, 96, 17, 11, 12]
Dummy atom index = 9
Sum Hydrop. =0.05632316389508749 Individual = [0.006145357691074128, 0.005569833736860733, 0.004695791786872488, 0.0039018996256176366, 0.004249672438485236, 0.003892622615870895, 0.0024451388428526314, 0.0023214437765662153, 0.0002662527799551746, 0.001655554294863589, 0.0017452774989579216, 0.00019762646518557548, 0.0015455878906867086, 0.0011821802599814627, 0.0011920991809683044, 0.0010206568884366472, 0.0009176558394188676, 0.0009051984368365561, 0.000851221401168154, 0.0007093165760297548, 0.0007118934728411278, 0.0006764263509572781, 7.010720075157786e-05, 0.0005117379846128679, 0.0004809788994812828, 0.0004571850095006441, 0.00040265319581239526, 0.0003628350404796765, 4.527437319760182e-05, 0.0003348999383417251, 0.00031845559464952806, 0.00030240040019833197, 0.0002868035867163346, 0.00024473829726552804, 0.0002116215186064886, 0.00019830463511164123, 0.00020033653745911125, 0.00018183853092987833, 0.00019629349343291543, 2.3089999487076055e-05, 0.0001673730291894463, 2.0173646285600074e-05, 0.00015668074830345758, 0.00014129073396393574, 0.0001498405293962141, 0.00012491455008831938, 0.0001348649978520844, 0.00012940956731003812, 0.00011193486467050916, 0.0001052034895410728, 0.0001077554830491037, 9.114345567781714e-05, 9.720451349322931e-05, 8.804415045634504e-05, 1.003343459304041e-05, 9.34755604717914e-06, 6.7633970127451375e-06, -0.00034316006366902677, -0.00029572393659316323, -0.0001962696260136836, -0.00017340691140090483, -0.00017256818048320865, -0.00012163813342368339, -0.00010779225119782224, 0.0011041449232356965, -9.608100706719177e-05, 0.0009263024570879476, -7.815422739331839e-05, 0.0008280438192521969, 0.0007015462864731338, -5.152016575558672e-05, -4.566052511747505e-05, -4.3094546717061784e-05, -3.811054888525055e-05, 0.00035633633451903184, -3.158768942429411e-05, -2.7332514894021393e-05, -2.4341950102921278e-05, -2.1253702094062018e-05, 0.000217691957310503, 0.0002121447909353042, -1.8935565706466376e-05, -1.761005600506299e-05, -1.6005058263913876e-05, -1.4845469817990094e-05, 0.00015242680836457698, -1.2242817519791753e-05, -1.172387559848815e-05, -1.02160121145733e-05, -9.497278974919221e-06, 9.825371180370091e-05, 9.727409134008491e-05, -8.792715791488744e-06, 8.655626389505128e-05, -6.441721990983496e-06, 6.52958307124248e-05, -5.802581699926002e-06, -5.5908055416074425e-06, -4.927839823309655e-06, 4.502081366228666e-05, 4.4144980320416853e-05, 3.443356898427852e-05, 3.052027163533282e-05, 2.992485324492819e-05, 2.31896779400014e-05]
-------------
C: [3.181475442614116, 3.403242380163965, 3.4629729045158415, 3.5016709502881245, 3.5804929074812795, 3.8482362892732627, 3.9095310432300736, 3.972935287195034, 3.987927988455657, 4.032579394370326, 4.08513562028085, 4.116899306163967, 4.228735584742136, 4.373602565658539, 4.374350795329418, 4.475239830191285, 4.622176404932619, 4.786058676251963, 4.89369562746414, 4.913409301361479, 4.96480675553092, 5.020739753082675, 5.124162754104433, 5.369169728545123, 5.447073300130638, 5.47800435903068, 5.5690643779911175, 5.584458795740321, 5.600934201738863, 5.717865380478855, 5.814211470294333, 5.861479642517549, 5.926203839231761, 5.9441339787003775, 5.9473159188495535, 6.087037923937532, 6.1754823152217675, 6.28383673800855, 6.435850634791533, 6.440771998527454, 6.515740794018046, 6.605124285227447, 6.672210965138216, 6.8544196055379665, 6.949583660696074, 6.9515236873356425, 6.99510955210278, 7.0376288591521705, 7.124882857073574, 7.135751811723269, 7.1670162917759725, 7.192101943558405, 7.304350445437435, 7.307510247127579, 7.317544489588695, 7.411630606995745, 7.951183329356145]
C Index: [18, 16, 3, 21, 6, 19, 1, 13, 17, 7, 2, 20, 10, 4, 14, 5, 8, 12, 47, 50, 11, 29, 15, 51, 49, 22, 57, 9, 24, 53, 25, 48, 46, 54, 28, 27, 56, 26, 52, 23, 55, 32, 36, 35, 37, 33, 44, 41, 34, 43, 45, 31, 42, 39, 40, 30, 38]
Global Index: [31, 29, 3, 34, 6, 32, 1, 22, 30, 10, 2, 33, 19, 4, 23, 5, 13, 21, 75, 78, 20, 50, 24, 79, 77, 39, 89, 16, 41, 85, 42, 76, 74, 86, 49, 44, 88, 43, 84, 40, 87, 53, 57, 56, 61, 54, 68, 65, 55, 67, 69, 52, 66, 63, 64, 51, 62]
H: [3.4117186619743625, 3.627058620808508, 3.92480074614152, 3.9844566150489555, 4.474312580570746, 4.590270301206402, 4.638337883874639, 4.6657066964356435, 4.876869964896583, 4.935949531979439, 4.943260872036083, 5.085000065974286, 5.089105872428908, 5.348725506863455, 5.54325597793887, 5.569074142925752, 5.571601409904136, 5.692909809048328, 5.722061907379788, 5.837359800542587, 5.866033123286219, 5.87382631668814, 6.063149493288248, 6.189525509584287, 6.20970220955259, 6.3489772573867995, 6.443187846719854, 6.5115183923182505, 6.515594028831016, 6.59247393463242, 6.694090414640567, 6.828648536798793, 6.837575795133838, 7.144453023145136, 7.166501505389814, 7.291722061622206, 7.405641946301146, 7.4640001814382035, 7.535825158949604, 7.583707707845287, 7.693898503781199, 7.755812086286226, 7.849623480412299, 8.064571007075191, 8.168978703456943, 8.17227347131056, 8.618465207642664, 8.719352512591009]
H Index: [14, 1, 17, 11, 15, 4, 3, 12, 16, 31, 5, 2, 7, 10, 36, 6, 40, 18, 32, 30, 39, 13, 19, 33, 8, 9, 37, 21, 29, 35, 24, 38, 20, 34, 27, 22, 26, 28, 47, 23, 25, 48, 46, 42, 45, 41, 43, 44]
Global Index: [35, 7, 38, 26, 36, 11, 9, 27, 37, 82, 12, 8, 15, 25, 93, 14, 97, 45, 83, 81, 96, 28, 46, 90, 17, 18, 94, 48, 80, 92, 60, 95, 47, 91, 72, 58, 71, 73, 104, 59, 70, 105, 103, 99, 102, 98, 100, 101]
Dummy atom index = 10
Sum Hydrop. =0.05223375768426302 Individual = [0.004970256249241719, 0.00361410160535703, 0.0037508179495635403, 0.0036084412424745842, 0.0030270628072526515, 0.0025515743257721836, 0.002178321536987217, 0.002252434324593532, 0.0020140702970034316, 0.0002631802063609769, 0.002013372587751755, 0.001950425462030164, 0.0015830448322623934, 0.001508844724575066, 0.0015077161844396472, 0.0012371939306770779, 0.00014594677234634892, 0.0009988887822053798, 0.0008141505809965084, 0.0008794465755509739, 0.0007582659713380303, 9.797169732130618e-05, 0.0007123286311109744, 0.000557538963754182, 0.0005157534387731583, 0.0004538817067481743, 0.00045652238801795024, 5.5754581785555626e-05, 0.00044220249817926145, 0.00035708561995048975, 0.00035726958943872755, 0.0003407750141778658, 0.0002899293075123795, 0.00031374110544938694, 3.878767216156366e-05, 0.0002719625017670416, 0.0002489419668290946, 0.00022337799505242457, 0.00017416277153109485, 0.00017330775882308893, 0.00017714371026799556, 0.0001619970028850666, 0.0001375008364222894, 0.00011459696949795568, 1.4236864989320875e-05, 0.0001145691341219422, 0.00010968280040990156, 9.54127393922452e-05, 9.633380180938045e-05, 9.52924236839329e-05, 9.235924665182668e-05, 8.175598529696958e-05, 8.050760678161612e-05, 9.953339669899545e-06, 7.211748142417094e-05, 8.969121917039801e-06, 5.229078449370659e-06, -0.00035403323074533686, -0.00028544541560865394, -0.000211941161641275, -0.00019966736916873204, -0.0001223391201925119, 0.0011951759722917648, -0.00010383172490830934, -0.0001010285092112184, -8.179691082890743e-05, -7.710436632096981e-05, 0.0008397112979481824, -6.642738372011764e-05, 0.0007257554696681574, -5.102848141700145e-05, -4.200772226880522e-05, 0.0004490996806267893, 0.0004479661188439149, -3.6168900009335454e-05, -3.512972139234199e-05, -3.130411762229917e-05, 0.00033371451721184603, -3.0183129008400776e-05, -2.497711359984256e-05, -2.2011915784067075e-05, 0.0002366581754459175, 0.00020588994006609098, 0.00018737859927148563, -1.59521090694077e-05, -1.588722638017028e-05, -1.4711588377679847e-05, -1.3290095096917538e-05, 0.00012744316175910685, -1.1513654141639979e-05, -8.471066533781101e-06, -8.286336367214433e-06, -7.311053501589337e-06, -6.523868293541866e-06, -6.15404298292518e-06, 6.283384446630103e-05, -5.459743087176629e-06, -4.890091128915564e-06, 5.042600053027891e-05, 4.5910577239481196e-05, 3.70307261609005e-05, 3.335942390883828e-05, 3.3249693219167805e-05, 2.128183313309888e-05, 1.9239520045910313e-05]
-------------
C: [3.7718572025151675, 3.7946431418554356, 4.12884026079743, 4.171009574457711, 4.3213274991348785, 4.322291540411555, 4.407447525799135, 4.424544010761692, 4.4322071713182245, 4.443981177295135, 4.4786894496421, 4.573089749020628, 4.660145667365978, 4.707722362856398, 4.772557357858933, 4.864396169293704, 4.88593609232493, 4.8924920993557555, 4.901350751170449, 4.964814666427535, 5.000457891449664, 5.086626323468287, 5.098985870427001, 5.119388021453255, 5.159177526178464, 5.164654435811984, 5.181724945653595, 5.202526654590197, 5.309547147714608, 5.3393882638734596, 5.5653795816116975, 5.5734994566870295, 5.611272174772419, 5.623460202995582, 5.725264548244427, 5.761182827762431, 5.885816842449064, 6.000291568885045, 6.039217045965641, 6.053171945772535, 6.070127644758578, 6.1897844711569725, 6.220304841814001, 6.302333649164828, 6.314737866889453, 6.329044586397729, 6.364006201752822, 6.45888454564871, 6.548033256107451, 6.617370951864926, 6.657529400760717, 6.694347784600355, 6.755063320194405, 6.774071695313336, 6.794407040254214, 7.191029850800571, 7.345119720238053]
C Index: [21, 18, 17, 16, 50, 13, 14, 20, 3, 19, 47, 6, 49, 10, 1, 11, 57, 29, 51, 7, 2, 12, 54, 46, 15, 53, 4, 48, 5, 8, 52, 56, 32, 28, 36, 55, 35, 22, 24, 37, 33, 25, 34, 9, 27, 31, 39, 26, 23, 43, 44, 40, 42, 41, 45, 38, 30]
Global Index: [34, 31, 30, 29, 78, 22, 23, 33, 3, 32, 75, 6, 77, 19, 1, 20, 89, 50, 79, 10, 2, 21, 86, 74, 24, 85, 4, 76, 5, 13, 84, 88, 53, 49, 57, 87, 56, 39, 41, 61, 54, 42, 55, 16, 44, 52, 63, 43, 40, 67, 68, 64, 66, 65, 69, 62, 51]
H: [4.028263985513715, 4.065179877759156, 4.425011067819137, 4.441808634248125, 4.541291007285827, 4.587040634574564, 4.939073422518522, 4.992362844492015, 5.078502119383649, 5.107815452688896, 5.303521710511652, 5.398555042783266, 5.442258562850497, 5.492151873451832, 5.515030486426283, 5.698478600245554, 5.708479982258459, 5.7834989605802045, 5.78462120553843, 5.822204800820044, 5.836721518186748, 5.8528991350506585, 5.872578526900444, 6.103407563720588, 6.126912078053041, 6.212935902295507, 6.263606733302947, 6.401908848773269, 6.472435927997692, 6.481742155317643, 6.534882355727462, 6.61707991355187, 6.677494468554254, 6.73039325686886, 6.8555277291313494, 6.887468487645798, 6.901167001446734, 6.919594934551729, 6.924048524297636, 6.965551511933288, 7.059880419730111, 7.091551397582928, 7.157813811952875, 7.252772144884112, 7.8669456245369425, 7.950586811732889, 8.02418070012332, 8.106174307030422]
H Index: [17, 14, 31, 11, 1, 12, 36, 30, 16, 15, 33, 32, 40, 3, 4, 24, 10, 2, 39, 13, 7, 5, 29, 35, 37, 18, 6, 34, 19, 22, 38, 47, 21, 23, 26, 46, 48, 20, 27, 8, 9, 25, 28, 45, 43, 44, 42, 41]
Global Index: [38, 35, 82, 26, 7, 27, 93, 81, 37, 36, 90, 83, 97, 9, 11, 60, 25, 8, 96, 28, 15, 12, 80, 92, 94, 45, 14, 91, 46, 58, 95, 104, 48, 59, 71, 103, 105, 47, 72, 17, 18, 70, 73, 102, 100, 101, 99, 98]
Dummy atom index = 11
Sum Hydrop. =0.03951036864723365 Individual = [0.0027540970465434523, 0.0026920519209947865, 0.0017493519857769203, 0.001677116771926175, 0.001589817677569902, 0.0015882857662378555, 0.001458632444336048, 0.0014339069187226203, 0.0014229606548374902, 0.0014063049521646327, 0.0012329334351983668, 0.0011218688797401156, 0.0011329231752176066, 0.000980554867182127, 0.0009189976887941065, 0.0008383576471450172, 0.0009039427486563283, 0.00011137760643394259, 0.0008901156235674222, 0.00010360687833022295, 0.0008061293617921601, 0.000739575073383916, 0.0007304905166824108, 0.0006496624652890565, 0.0006878182237793273, 0.0006209102394175496, 0.000672483229706486, 0.0006586389211478114, 0.0005371588267739856, 7.123826638877932e-05, 0.0004159068777689554, 0.0004545021585504598, 0.00043765456936485485, 5.362193311061668e-05, 0.0003544532342831317, 0.00037672643664826466, 0.00030187835036066057, 0.0002692255210040637, 0.0002852839709822416, 3.4891611474661244e-05, 0.0002766005685767754, 0.0002454068997990888, 0.00023803013368179583, 2.719640343848678e-05, 0.00021658092230562824, 0.00019379412396516353, 2.5569805570088682e-05, 0.0001875072617381267, 0.0001556807925303494, 0.00016002517837776379, 0.00015372614171658264, 0.0001344904483718106, 0.0001394406132825994, 0.00012418461263347818, 0.00013406102132595092, 1.1182930311689034e-05, 9.585951746329068e-06, -0.00019110928885230553, -0.00018418295147352493, -0.00012852177883161716, -0.00012638095635532183, -0.00011441342638662211, -0.0001092969847942218, -7.686387654793324e-05, -7.287506950104586e-05, -6.686043074618791e-05, -6.492897565000583e-05, -5.338809240087153e-05, -4.8548068007882735e-05, 0.000509821390171252, -4.421029008815618e-05, 0.0004740384921437947, -3.596804274251221e-05, -3.561010552384781e-05, -3.303641646553172e-05, 0.00036201940173414415, -3.17821446164985e-05, 0.0003436409951560979, 0.0003381264293342382, -3.0220814715568784e-05, -2.3991554657361975e-05, 0.0002570850422424053, -2.150259317323047e-05, 0.00022423896215671167, -1.780003803495748e-05, -1.6587900015842082e-05, -1.6434245329203535e-05, 0.00017096120444143009, 0.00015747065104444396, -1.3512497180547023e-05, -1.2816279336344802e-05, -1.130880599400321e-05, 0.00012016316460151138, 0.00011852833079412538, -1.0607003689002036e-05, -1.0559869482254599e-05, 0.00011113742514870986, 0.00010113321337938345, -8.931265027603684e-06, -8.358639134667452e-06, 8.339154013543119e-05, 4.512215589195856e-05, 4.1501609106923246e-05, 3.855702490279896e-05, 3.552173294671823e-05]
-------------
C: [3.899506603001604, 3.970303230880948, 4.262518208572165, 4.2652214559433315, 4.3204843544315725, 4.327847611730017, 4.392763991415072, 4.493447914158525, 4.547180132357228, 4.60635374217753, 4.620074027052922, 4.6600689377676305, 4.666435854460583, 4.746232862122781, 4.759551068475494, 4.799886366515176, 4.855944143458315, 4.919788563469061, 4.929767913089912, 4.966400126483196, 4.967433347707151, 5.021213303803345, 5.091912907246011, 5.098157565411687, 5.1661411972793845, 5.194715406368425, 5.231559774267722, 5.333206825711153, 5.349806437916097, 5.383045751495964, 5.412646254980876, 5.440720895251123, 5.465898157736651, 5.51246590798385, 5.553483326406437, 5.568336398303479, 5.680684332906313, 5.91921217494759, 5.943132609342907, 6.047491002265532, 6.136254504701011, 6.171071800364787, 6.1931260515088935, 6.217736140321454, 6.3172957418431555, 6.458625070250414, 6.496191522205813, 6.554526034026399, 6.601046971833769, 6.633133955055239, 6.651907599126668, 6.685790751108007, 6.694909153786167, 6.7784788115102605, 6.802200754841256, 7.088909564204431, 7.414128347601203]
C Index: [50, 49, 47, 21, 54, 57, 46, 17, 18, 51, 32, 14, 48, 52, 53, 36, 13, 20, 35, 29, 11, 16, 55, 56, 19, 37, 33, 10, 34, 15, 3, 39, 28, 31, 12, 6, 1, 7, 2, 4, 8, 40, 5, 43, 42, 44, 38, 45, 24, 22, 41, 27, 25, 26, 23, 9, 30]
Global Index: [78, 77, 75, 34, 86, 89, 74, 30, 31, 79, 53, 23, 76, 84, 85, 57, 22, 33, 56, 50, 20, 29, 87, 88, 32, 61, 54, 19, 55, 24, 3, 63, 49, 52, 21, 6, 1, 10, 2, 4, 13, 64, 5, 67, 66, 68, 62, 69, 41, 39, 65, 44, 42, 43, 40, 16, 51]
H: [4.098517795300596, 4.21575664633743, 4.3646031408434665, 4.465921969083456, 4.4789737339152405, 4.704728497536318, 4.723670669014937, 4.838548403045251, 5.05800685738513, 5.248504608746614, 5.340542253431387, 5.458800866367816, 5.485534959047197, 5.494871632621946, 5.725629427268712, 5.732080958264252, 5.738088951565259, 5.748256709555993, 5.844662892656964, 5.874805561006993, 5.9231549182998435, 5.937832563519091, 5.940900763921729, 5.9635084972075, 6.09094334614361, 6.210042098723594, 6.361854644180476, 6.385838548481469, 6.388527692444816, 6.415059489432864, 6.462239634545065, 6.560525495957325, 6.5866629079249375, 6.65098771468855, 6.788006225774292, 6.821008144468242, 6.840462188924539, 6.98264265336965, 6.984124353249051, 7.001647799347604, 7.0321370727220485, 7.142068703278326, 7.17633084406612, 7.238546336314685, 7.776722587277363, 7.83417582563491, 8.10787557183171, 8.16296944144923]
H Index: [31, 30, 17, 33, 36, 24, 12, 14, 11, 32, 29, 16, 1, 40, 47, 22, 34, 35, 15, 39, 23, 46, 13, 37, 48, 10, 45, 38, 3, 26, 4, 2, 25, 7, 5, 27, 18, 28, 21, 19, 6, 20, 43, 44, 8, 9, 42, 41]
Global Index: [82, 81, 38, 90, 93, 60, 27, 35, 26, 83, 80, 37, 7, 97, 104, 58, 91, 92, 36, 96, 59, 103, 28, 94, 105, 25, 102, 95, 9, 71, 11, 8, 70, 15, 12, 72, 45, 73, 48, 46, 14, 47, 100, 101, 17, 18, 99, 98]
Dummy atom index = 12
Sum Hydrop. =0.03808963083482402 Individual = [0.0024240513151406744, 0.0022583706675470094, 0.0015304586745171539, 0.0016815658025115389, 0.0015911586891779413, 0.0015794856070409416, 0.0013435585050922813, 0.0012148708467326177, 0.001268413247946304, 0.0011955341804353304, 0.0011792431254193463, 0.0011330101072928882, 0.001125819242437923, 0.000943511075213465, 0.0009310285072328091, 0.0008942224759837987, 0.0009314644044129656, 0.0008738542118778377, 0.0007853056870271744, 0.0001034427439118026, 0.0007562769292149821, 0.000716678727580578, 0.0007356755644209092, 0.0007310958363010473, 0.0006830451223343775, 8.232731769270325e-05, 0.0006397915021023713, 0.0005245989886527584, 0.0005684399516481929, 0.0005498559682837166, 0.0005338184845478228, 6.437320608447831e-05, 6.277269773253108e-05, 0.0004385066852033448, 0.00046369119060692224, 0.0004146789336679842, 0.0003706123480566192, 3.9893213122622475e-05, 0.00031405543353155185, 0.00028293328203244034, 3.21098835820482e-05, 0.00022695895018354941, 0.00022200833224179413, 0.000238642348002748, 0.000216027643299931, 0.00018755592157229144, 2.2403716605630886e-05, 0.00017040468114955498, 0.00016265886382497858, 0.00014298032169157736, 0.00014032109976890413, 0.0001494424499380502, 0.00014808596737815355, 0.00013621347280126962, 0.0001207400889960379, 1.2385281886453201e-05, 8.94674733161995e-06, -0.00017814389944890933, -0.00015843632800118453, -0.00013652480258263166, -0.00012336993877118323, -0.00012177020572209327, -9.716212211359341e-05, -9.533898216253139e-05, -8.499233192884905e-05, -6.824489177519261e-05, -5.64076526237417e-05, -5.144777366018934e-05, -4.5709610742287444e-05, -4.450379577357971e-05, 0.00048369153504728855, 0.00038401806072124744, -3.477951223736203e-05, -3.4571183605990375e-05, -3.4221453177827895e-05, -3.107633354420384e-05, 0.0003307998305385256, -2.8730363482001592e-05, 0.0003105939550513574, -2.8225016057402822e-05, 0.0003027206747054039, 0.00026650037899768927, -2.1564907573492e-05, 0.00020325561369420467, 0.00019843874506233317, -1.80398238544231e-05, -1.756748856966258e-05, 0.0001838424934816928, -1.5189189335880273e-05, -1.4797326683175905e-05, 0.00015222067804279935, 0.00013272944206613952, -1.170599727867277e-05, -1.1480469117380702e-05, -9.958901650831638e-06, -9.94415647411759e-06, -9.771418486768322e-06, 0.00010397827043196943, -8.491288364086472e-06, 9.00160662072512e-05, 8.458633050178643e-05, 4.938251551505962e-05, 4.6625294124472196e-05, 3.546135244894625e-05, 3.35604929607697e-05]
-------------
C: [3.5433226461762173, 3.661403413995526, 3.665082239387538, 3.851409639804854, 3.8548784055828915, 3.9666074193477825, 3.990819273988542, 3.9993982636340135, 4.028431446040881, 4.036086029030332, 4.3014630989436595, 4.311646326175309, 4.411405088562429, 4.4177060402215735, 4.4194182842978424, 4.427857496136643, 4.669650366846291, 4.677410934165767, 4.680407294461186, 4.753671082921318, 4.763613832927665, 4.8838115252026775, 4.88647778474399, 4.927574578716774, 5.319621518204851, 5.322069261616226, 5.528788975332301, 5.5373393644215945, 5.555095517856527, 5.594732778444368, 5.601369583923555, 5.767751149943886, 5.777272886760296, 5.7943629659712945, 5.803071284855214, 5.966228261346562, 5.971373798401397, 6.153812191897149, 6.160975176571098, 6.231307320190991, 6.2646858304004045, 6.270165613828787, 6.329911578641038, 6.33196815232646, 6.547303035605612, 6.574108035163877, 6.576088329642205, 6.6255096082336, 6.694065458807898, 6.69609114471104, 6.722939049300106, 6.795252373465085, 6.79723469099863, 6.865762863952623, 7.155316660813007, 7.159216234432992, 7.484595590178898]
C Index: [3, 6, 1, 2, 4, 5, 16, 10, 18, 13, 19, 12, 7, 8, 21, 14, 20, 22, 15, 17, 11, 24, 25, 9, 27, 26, 47, 53, 23, 50, 57, 29, 28, 51, 56, 49, 54, 48, 55, 41, 46, 52, 44, 45, 30, 43, 42, 32, 36, 35, 40, 33, 34, 31, 37, 39, 38]
Global Index: [3, 6, 1, 2, 4, 5, 29, 19, 31, 22, 32, 21, 10, 13, 34, 23, 33, 39, 24, 30, 20, 41, 42, 16, 44, 43, 75, 85, 40, 78, 89, 50, 49, 79, 88, 77, 86, 76, 87, 65, 74, 84, 68, 69, 51, 67, 66, 53, 57, 56, 64, 54, 55, 52, 61, 63, 62]
H: [3.950079593410196, 4.271719931825878, 4.277157422249236, 4.4337454223806105, 4.439107022189581, 4.723728482898652, 4.7335566658978605, 4.904754159018307, 4.911811926230356, 5.074222917810358, 5.07934326013558, 5.129834756154726, 5.134371843317922, 5.232557147943755, 5.239462804801514, 5.303093424219939, 5.313981265878955, 5.651746235882912, 5.653434248340486, 5.738737580839743, 5.744712571090861, 5.84252260936945, 5.846506418682399, 6.08258800243623, 6.092145116812486, 6.361963874188924, 6.3655681976779555, 6.414005554904056, 6.422886196688586, 6.540197495717191, 6.550248713493148, 6.558269311659046, 6.561817441989977, 6.673765676889827, 6.680789963127267, 6.853101212799726, 6.967177015428083, 6.970517082109542, 7.142807180334798, 7.146162720056573, 7.257095122957402, 7.25838449404416, 7.818869585032875, 7.822163779142855, 7.92245892556584, 7.927075422186131, 8.205405616228942, 8.206572015788412]
H Index: [1, 14, 11, 3, 2, 15, 10, 17, 12, 4, 7, 18, 19, 5, 6, 16, 13, 8, 9, 31, 36, 21, 20, 32, 35, 30, 33, 40, 37, 39, 38, 27, 28, 29, 34, 24, 26, 25, 22, 23, 42, 41, 47, 46, 48, 45, 43, 44]
Global Index: [7, 35, 26, 9, 8, 36, 25, 38, 27, 11, 15, 45, 46, 12, 14, 37, 28, 17, 18, 82, 93, 48, 47, 83, 92, 81, 90, 97, 94, 96, 95, 72, 73, 80, 91, 60, 71, 70, 58, 59, 99, 98, 104, 103, 105, 102, 100, 101]
Dummy atom index = 13
Sum Hydrop. =0.04856512380134952 Individual = [0.0034612306133086548, 0.0027917880601204875, 0.0027815364278602553, 0.0025434901198228216, 0.0025346826327245406, 0.0020574724572518252, 0.002008255454926657, 0.0019911003441487897, 0.0021308381384555213, 0.002114589727827788, 0.001621714206008653, 0.0016052837214071327, 0.00018019026107688705, 0.00017905846040760465, 0.001441275602157301, 0.0014291635519963868, 0.001122206092907246, 0.0010107319305904733, 0.0011101992970903912, 0.0009365190677949429, 0.0009272536311182683, 0.0009058652772478839, 0.0009034532223204395, 0.00010753794999522564, 0.0005858598524747393, 0.0005844275715241048, 0.0004314070128997921, 0.0004277340401340798, 0.0004202061597695998, 0.0004449533036912568, 0.0004420100129948784, 4.6417068038642225e-05, 4.597719443669132e-05, 0.0003644316998868817, 0.00036127189071440515, 0.0003068852374237477, 0.0003053102037352256, 0.0002543954453181513, 0.0002525797253926736, 0.0002136915553372503, 0.0002066765756462719, 0.0002055471301565995, 0.00021331939314936138, 0.00021288113690641556, 2.128740006826782e-05, 0.0001671002755170466, 0.00016676969519533873, 0.00015872807394400466, 0.00013452842385470198, 0.0001342561873488451, 0.00013069964650497807, 0.00013394774297806116, 0.0001336824790241351, 0.00011330441123000222, 1.1589525619803191e-05, 1.1544419416068756e-05, 8.33799514361967e-06, -0.00020665068370192283, -0.0001498132488911749, -0.00014900085148821744, -0.00012740411220020934, -0.00012672285029542878, -9.533347040503272e-05, -9.440110484660845e-05, -7.95475760738348e-05, -7.898812436188334e-05, 0.0007366376338975882, 0.0007328754371298035, -6.351491033176101e-05, -6.322739039215699e-05, 0.0006287676948590415, 0.0006244405988311811, -5.341096268615279e-05, -5.2832586927035536e-05, 0.0004134649621280335, 0.00041276761685053254, -3.454876699507093e-05, -3.4342953926927336e-05, -3.114291692976222e-05, -3.101909628993443e-05, -2.4496284192306848e-05, -2.426328557318865e-05, -1.8525451969077093e-05, -1.845880043639908e-05, 0.00019292730443168704, 0.00019122157136307409, 0.00017005493232217104, 0.00016835423452350392, -1.522349763473257e-05, -1.5169578393845727e-05, -1.3562976522385733e-05, -1.3468040113666695e-05, -1.1336280316404132e-05, -1.0114119596517002e-05, -1.0080394116669737e-05, -8.485020057234972e-06, -8.456595951171785e-06, 8.303181843065955e-05, 8.292482859431727e-05, 4.734444177782277e-05, 4.718873659892524e-05, 4.2685534242424166e-05, 4.248893077664466e-05, 3.216610941528827e-05, 3.2128612751733496e-05]
-------------
C: [4.380408633655956, 4.460557231800447, 4.495265781572769, 4.502847062829535, 4.528331977397951, 4.574461561489809, 4.6364280738150025, 4.636711696028976, 4.643027433054304, 4.658869038869155, 4.662821104193495, 4.718716060340915, 4.752048140739223, 4.811403360939048, 4.841759076786846, 4.872488175734872, 4.888506294902225, 4.9227263450021015, 4.943011668473129, 4.96405058081067, 5.08264844881816, 5.13071468611426, 5.157804833956492, 5.163398006340785, 5.1650662944273815, 5.25758782813604, 5.277137761653404, 5.279501889489887, 5.327855283213907, 5.356674771385609, 5.3637578052605495, 5.37291851035494, 5.380826480177214, 5.4433096572002455, 5.5076792139424215, 5.5276583332830995, 5.529805103727962, 5.5787325385809545, 5.635253868715193, 5.656465734162352, 5.679109243409876, 5.700649821937093, 5.7283698041318525, 5.7507188551413995, 5.842143103569875, 5.890519745078245, 5.906916723989798, 5.932033234291565, 5.954739345218034, 5.955600281592507, 5.9600572773531475, 6.007457103806907, 6.038687304760698, 6.193161229569494, 6.288301365598026, 6.471915673904001, 6.671488973729869]
C Index: [13, 14, 3, 10, 18, 1, 21, 6, 12, 11, 16, 15, 4, 2, 19, 17, 5, 57, 20, 53, 50, 54, 56, 8, 47, 49, 7, 22, 25, 55, 51, 52, 24, 28, 46, 26, 48, 27, 32, 29, 23, 35, 9, 36, 34, 33, 45, 41, 44, 31, 42, 43, 40, 39, 37, 30, 38]
Global Index: [22, 23, 3, 19, 31, 1, 34, 6, 21, 20, 29, 24, 4, 2, 32, 30, 5, 89, 33, 85, 78, 86, 88, 13, 75, 77, 10, 39, 42, 87, 79, 84, 41, 49, 74, 43, 76, 44, 53, 50, 40, 56, 16, 57, 55, 54, 69, 65, 68, 52, 66, 67, 64, 63, 61, 51, 62]
H: [4.706149704458576, 4.803217522489427, 4.809724980290691, 4.837149905133452, 4.9879317557963025, 5.136578420440973, 5.164153557023956, 5.224682354988354, 5.256865038992947, 5.305679427728007, 5.3204936186931775, 5.3276558081600776, 5.489091271611227, 5.507955607969511, 5.559235867848749, 5.596740271493644, 5.6118106961594565, 5.701452013086389, 5.779297611773854, 5.828211342629792, 5.879981499928025, 5.884454784510702, 5.923910705581717, 5.9422208481146415, 5.972449496058744, 6.026950393446674, 6.047591364841588, 6.09920113970437, 6.105558867105172, 6.211316124629119, 6.233234506706784, 6.243396893734408, 6.292424056301564, 6.29937579685914, 6.301976138673798, 6.313752066680807, 6.37936386894361, 6.4415617769592926, 6.467277724905529, 6.473078235962428, 6.8561563263834815, 6.937709084692581, 6.979184442117949, 7.087936250514084, 7.18388151833356, 7.212184135456188, 7.384615539240706, 7.41212332944584]
H Index: [11, 1, 14, 12, 17, 10, 36, 2, 13, 31, 3, 15, 16, 33, 35, 30, 19, 18, 32, 7, 34, 24, 4, 20, 6, 21, 29, 5, 37, 28, 23, 38, 27, 25, 40, 22, 26, 9, 39, 8, 46, 47, 45, 48, 41, 42, 44, 43]
Global Index: [26, 7, 35, 27, 38, 25, 93, 8, 28, 82, 9, 36, 37, 90, 92, 81, 46, 45, 83, 15, 91, 60, 11, 47, 14, 48, 80, 12, 94, 73, 59, 95, 72, 70, 97, 58, 71, 18, 96, 17, 103, 104, 102, 105, 98, 99, 101, 100]
Dummy atom index = 14
Sum Hydrop. =0.03651812847217647 Individual = [0.001498610292409742, 0.0013831861036260995, 0.0013360013145042268, 0.0012035055905651906, 0.001292547223382474, 0.0011203309411449568, 0.0011601145691874511, 0.0010527165254261837, 0.0011524837632957447, 0.0010296476408449655, 0.0010255864364657288, 0.001068473271250245, 0.0010334458457276002, 0.0009738903873359982, 0.0009447714466001115, 0.0008316010258447683, 0.0008183864603042632, 0.0008712907863473554, 0.0008537944304948378, 0.0007588395697397554, 0.0007425228694147144, 0.0007076767583694579, 0.0006887630348242685, 8.49463924827907e-05, 0.00062065456484056, 0.0006233538228004718, 7.581382209359955e-05, 0.0005535428002999496, 0.0005810558248790602, 0.0005645490936535757, 0.0005605645014586001, 0.0005041745083876123, 0.0005510776029315441, 6.420677469659343e-05, 0.0004406107141946837, 0.0004758219769612311, 0.0004748015920620275, 0.00045212992399630965, 0.0004272837236898638, 5.1881000960963344e-05, 0.0003711965556421284, 0.0003632862690211119, 4.828150572395403e-05, 0.0003455447337263834, 0.00034742854432171085, 0.00033102118438790065, 0.0003256376941134361, 0.00028824411164786755, 0.00031043134765339176, 0.0002815304701182215, 0.00030878487660484523, 0.0002944899909045516, 0.00025908434382924207, 3.0333634841480446e-05, 2.758072120532187e-05, 2.295424101907752e-05, 1.8801363869752676e-05, -9.702413271203693e-05, -8.804886287969617e-05, -8.747774888557804e-05, -8.511127668017766e-05, -7.319870189009043e-05, -6.308802809234478e-05, -6.137213383759368e-05, -5.7767543561073536e-05, -5.5938026253322316e-05, -5.3273020186044896e-05, -5.24896403873605e-05, -5.2115042708938875e-05, -4.4345807459946674e-05, -4.351709436875194e-05, -4.134177851655816e-05, -3.981999493229589e-05, -3.922438998091045e-05, -3.5861253744928716e-05, -3.317550595154546e-05, 0.0003465779194992494, -2.9997916910550654e-05, -2.986402737757788e-05, 0.00031494823950654687, -2.818778124181366e-05, 0.00030002611348557316, -2.5897826581643734e-05, -2.5368749401747328e-05, 0.000264308735408433, 0.00026263366298826327, -2.153745081661675e-05, -2.1070520611187278e-05, 0.00022881689948059335, -1.985955768192926e-05, -1.972197795269213e-05, 0.0002157980190472758, -1.944047778569236e-05, -1.820589738831802e-05, 0.00018768353780400997, 0.00018291860765178491, 0.00018186065753756346, 0.00012398525974255715, 0.00011427524031695235, 0.00010963257743973956, 9.833526989886786e-05, 8.933894379491537e-05, 8.68458646258725e-05, 7.309087081009362e-05, 7.110770379116853e-05]
-------------
C: [4.357884961811446, 4.369339551906164, 4.519018678096889, 4.541086775312773, 4.629288723602458, 4.64007166682356, 4.649171405846784, 4.657099942521961, 4.707141400725627, 4.710331159296667, 4.729227806560756, 4.766351297733667, 4.830219698414619, 4.839707852109177, 4.904984468952258, 4.907745833056297, 4.96249433996585, 4.97878620929877, 5.022050469203838, 5.0287259298245335, 5.045956063595253, 5.079335559320585, 5.095601378205253, 5.150253726387532, 5.153258859334196, 5.175260484226726, 5.185064443259114, 5.239858293839303, 5.280374801114336, 5.390834273165455, 5.436649963146979, 5.45285056358157, 5.4589035327072795, 5.464402393588236, 5.466892317638588, 5.512048360067391, 5.515303195076549, 5.564187743970711, 5.620704203582119, 5.6293436283659375, 5.6836463244977615, 5.720511854355923, 5.731497251640405, 5.7849674493232355, 5.792136537307581, 5.836181386092493, 5.897931168942877, 5.90714979469322, 5.915941100507427, 5.970383353241004, 5.983747261203283, 5.988998860844865, 5.995510018096518, 6.004579269678278, 6.183516075465651, 6.550130375816812, 6.5838780363068246]
C Index: [54, 57, 52, 53, 55, 56, 32, 49, 35, 14, 50, 11, 36, 46, 34, 13, 15, 47, 33, 48, 21, 31, 51, 12, 10, 18, 17, 39, 28, 20, 16, 40, 42, 3, 37, 19, 1, 43, 6, 45, 4, 29, 44, 2, 41, 5, 26, 25, 38, 23, 8, 22, 27, 24, 7, 30, 9]
Global Index: [86, 89, 84, 85, 87, 88, 53, 77, 56, 23, 78, 20, 57, 74, 55, 22, 24, 75, 54, 76, 34, 52, 79, 21, 19, 31, 30, 63, 49, 33, 29, 64, 66, 3, 61, 32, 1, 67, 6, 69, 4, 50, 68, 2, 65, 5, 43, 42, 62, 40, 13, 39, 44, 41, 10, 51, 16]
H: [4.706877041036509, 4.726017498549596, 4.91654543319113, 4.928348606686086, 4.966904671000479, 5.036601965401872, 5.14931163822599, 5.166814758093214, 5.263298684338083, 5.29165517270819, 5.351521578922576, 5.388029619653192, 5.4789887384540314, 5.53241125750611, 5.5414110029477115, 5.639386931531546, 5.688788713725769, 5.704267555297812, 5.725046940255472, 5.842725914344466, 5.901483962181211, 5.903474500703547, 5.941568064388424, 6.00861447075376, 6.037733187239696, 6.0480993878387155, 6.073626615672095, 6.0872203292443965, 6.093348266749553, 6.178859493822176, 6.199866120477288, 6.214745719142778, 6.241570813715777, 6.301771588642789, 6.3474671520605535, 6.36499738013621, 6.379491005527059, 6.54806681846887, 6.611903589320485, 6.643520674644759, 6.674613335241907, 6.7740929638621115, 6.814521103920618, 7.001489468580589, 7.24790741355933, 7.2819034223516566, 7.3051879088631075, 7.338886031474005]
H Index: [33, 36, 30, 24, 12, 31, 34, 35, 17, 11, 23, 13, 14, 29, 22, 32, 10, 1, 25, 16, 46, 26, 37, 28, 15, 45, 2, 38, 47, 27, 20, 19, 3, 48, 40, 21, 18, 39, 44, 7, 43, 6, 4, 5, 41, 9, 42, 8]
Global Index: [90, 93, 81, 60, 27, 82, 91, 92, 38, 26, 59, 28, 35, 80, 58, 83, 25, 7, 70, 37, 103, 71, 94, 73, 36, 102, 8, 95, 104, 72, 47, 46, 9, 105, 97, 48, 45, 96, 101, 15, 100, 14, 11, 12, 98, 18, 99, 17]
Dummy atom index = 15
Sum Hydrop. =0.03603244255594309 Individual = [0.0015327475033438498, 0.0015152906802229007, 0.0011841994873634499, 0.0011583527015861185, 0.001168426669575553, 0.001155895275216904, 0.0011454246421403048, 0.0011363790075644628, 0.00098112469793612, 0.0010774699794414806, 0.0010573005765246893, 0.0009247187780553232, 0.0008675049925305668, 0.0008593128972180742, 0.0008868870639878417, 0.0008844414240901487, 0.000837321226161468, 0.0007477395753076003, 0.0007889095301859933, 0.0007836607342405557, 0.0007702738153483327, 0.0006762111680107041, 0.0007329670446850556, 0.0006939836444760418, 0.0006280263385552579, 0.0006768445532209245, 0.0006083659072251183, 7.869346328698041e-05, 7.556880653626038e-05, 0.0005455900373719528, 0.00047304522742267445, 0.00046544335442377387, 0.0005096879047208905, 0.0005068928935716945, 6.271032264405233e-05, 0.00048330782017663027, 0.0004372642792100671, 0.0004587541178684594, 0.00039352191614339853, 0.00042981655062935203, 0.00040709875410188375, 4.866239391126038e-05, 0.0003880774247103865, 0.0003678718597229063, 0.00033152539996071797, 0.0003172403153335203, 0.0003285769150288295, 0.0003255618063509589, 4.0023920452560315e-05, 0.00027739919669953015, 3.740001576687432e-05, 0.00027228303753802185, 0.0002980293887122959, 0.00029533870489420976, 3.062762292512744e-05, 2.1227298350102197e-05, 2.0522879785731627e-05, -9.695358916893275e-05, -9.511550016303741e-05, -7.861511703824858e-05, -7.769266381947626e-05, -7.475415319495921e-05, -6.97214123191463e-05, -6.228980723594166e-05, -6.120902737520829e-05, -5.557929603995825e-05, -5.402539804487591e-05, -5.088600139092793e-05, -4.906175561313628e-05, -4.47960830827663e-05, -4.2465763447996276e-05, -4.2085297005546365e-05, -3.815750688841016e-05, -3.631826305226353e-05, -3.576042687901069e-05, -3.5025014373767256e-05, -3.1136586063384015e-05, 0.00032209130127881477, -2.930138961879002e-05, 0.00030943589537534374, -2.637706736181145e-05, -2.5620075813691596e-05, 0.0002781664356788785, -2.4716791418831425e-05, 0.00026749441366810206, 0.000265860236798858, -2.2247951768847795e-05, -2.1785471929595164e-05, -2.1463712611805652e-05, -2.0895600389857834e-05, 0.00021584216505364303, 0.00020620109043699203, -1.8469340051300106e-05, -1.820358289985665e-05, 0.00016872196682087432, 0.00015828788349648375, 0.00015336157018386383, 0.00014866651997507972, 0.0001345890481520551, 0.00012925638440578505, 0.00010721429014007778, 8.379820593086746e-05, 8.099728126884763e-05, 7.913308877278544e-05, 7.651088210118528e-05]
-------------
C: [3.670627106778509, 3.6956852531643114, 3.7171160784267996, 3.738289221965357, 3.9485791519262246, 3.993622612606926, 3.9983883301571237, 4.020778975092598, 4.211286024329367, 4.212334146682133, 4.2579484184583976, 4.296228513630597, 4.302442778682947, 4.307781779940848, 4.312903897954877, 4.571419477407566, 4.690141199299167, 4.7149855949652295, 4.989861161392912, 5.000141415282736, 5.016015252931463, 5.072587965277806, 5.10656174049407, 5.14566501458411, 5.242895486536694, 5.275493308329343, 5.304252638809455, 5.383903685084541, 5.521535491898788, 5.566323609524985, 5.605968239992759, 5.659385614960669, 5.678133568491967, 5.78727251373585, 5.823115406797917, 5.902247205207538, 5.9212204537301645, 5.954234388223263, 5.974012384219598, 6.270783307513937, 6.274745014250368, 6.404387363180159, 6.4061433773161145, 6.442978549640427, 6.473904547465571, 6.5398795109061085, 6.588079801810081, 6.609503471232882, 6.635187228108241, 6.719869850073283, 6.766246705360602, 6.7722281790615195, 6.776630681265719, 6.798862592187483, 6.85199121424069, 7.1150234824360155, 7.47533807804284]
C Index: [32, 54, 35, 52, 36, 57, 34, 55, 49, 33, 31, 56, 46, 39, 53, 50, 48, 37, 47, 40, 51, 11, 42, 14, 38, 43, 28, 15, 45, 13, 21, 17, 44, 12, 41, 10, 18, 29, 20, 19, 16, 26, 23, 3, 1, 27, 25, 6, 4, 24, 2, 22, 30, 5, 8, 7, 9]
Global Index: [53, 86, 56, 84, 57, 89, 55, 87, 77, 54, 52, 88, 74, 63, 85, 78, 76, 61, 75, 64, 79, 20, 66, 23, 62, 67, 49, 24, 69, 22, 34, 30, 68, 21, 65, 19, 31, 50, 33, 32, 29, 43, 40, 3, 1, 44, 42, 6, 4, 41, 2, 39, 51, 5, 13, 10, 16]
H: [3.9937991771117503, 3.9964744437454383, 4.36134570135255, 4.472359649298208, 4.519331145617433, 4.522901530615435, 4.852937939811694, 4.948418540758618, 4.958274349606303, 4.964689954061166, 5.142956050098897, 5.161568301229206, 5.279222433862998, 5.286044344959676, 5.303393145522364, 5.568279715363696, 5.58442566603758, 5.674952778799362, 5.694479460524372, 5.703083629110554, 5.907790744986058, 5.943619524148077, 5.9687894682444025, 5.9879365304688354, 6.013431141957385, 6.093315837935867, 6.225914293055298, 6.237401767256933, 6.3359899962220725, 6.351393247901401, 6.54719598305729, 6.600506890831636, 6.633734854250439, 6.777069938196509, 6.820889067443439, 6.833904612534084, 6.910405879373316, 6.962799352464084, 7.133670578438175, 7.183784524796274, 7.446889960352719, 7.503644877958056, 7.530998656478007, 7.622763146203611, 7.7319258728891915, 7.927260246435631, 8.158340320097622, 8.235153581873144]
H Index: [24, 33, 30, 36, 23, 34, 22, 35, 31, 46, 45, 29, 25, 12, 47, 26, 48, 32, 13, 17, 44, 37, 28, 11, 43, 38, 27, 14, 16, 10, 40, 20, 1, 39, 15, 21, 19, 2, 18, 3, 41, 7, 42, 6, 4, 5, 9, 8]
Global Index: [60, 90, 81, 93, 59, 91, 58, 92, 82, 103, 102, 80, 70, 27, 104, 71, 105, 83, 28, 38, 101, 94, 73, 26, 100, 95, 72, 35, 37, 25, 97, 47, 7, 96, 36, 48, 46, 8, 45, 9, 98, 15, 99, 14, 11, 12, 18, 17]
Dummy atom index = 16
Sum Hydrop. =0.046854883782537146 Individual = [0.0030474943665347283, 0.002972078641876079, 0.0026405034715303406, 0.002585183428774889, 0.00209490149754234, 0.0022063161582457557, 0.002195826493851455, 0.0021472068661323117, 0.0017747522154756942, 0.0017728930325038505, 0.0015374685540777212, 0.0016302254643928201, 0.0014705594514882664, 0.00019986389447460186, 0.0014552559391650519, 0.001238037374455917, 0.0010994451476269201, 0.00013301112777893746, 0.0007395040833481865, 0.0007319407367902774, 0.0007936851663228923, 0.0006807893950979912, 0.0007249773254216829, 0.0006971754529608333, 7.845481866325584e-05, 0.000612291705084792, 7.378575921267068e-05, 0.0005493844306825426, 0.0004787442967740682, 0.0004577753264058055, 0.0004399820275436961, 0.0003785905773544965, 0.00040934918754945257, 0.0003670248679509806, 0.00032141256865580927, 0.00029695890436577373, 0.00032101301447663277, 3.852024699275264e-05, 0.00030450567843279253, 0.00022631295817904324, 0.00020460799951094427, 0.00019800944991499734, 0.00017941428769011316, 0.00019051359749363154, 0.0001676597147472498, 0.00017291888447483597, 0.00016478182361085743, 0.00014639925226939113, 0.00015719937300525845, 0.00014443538855170025, 0.00013788988256809625, 0.00012441376013877108, 1.692493038988275e-05, 0.00012114381252443826, 1.5696333859576425e-05, 1.2066040116419041e-05, 8.415542629420189e-06, -0.00019781065113712567, -0.00019728216214203974, -0.00013697024897951337, -0.00012257827353520193, -0.00011695371956229968, -0.00011653689431261807, -8.37780887933821e-05, -7.61489204111772e-05, -7.540209752478547e-05, 0.0008219084858843626, 0.0006877070595889344, -6.15310017708726e-05, -5.470127450151568e-05, -5.43293772373211e-05, 0.0005857692064531158, -4.0969575386740586e-05, 0.00044225796623307287, -3.682425252329026e-05, -3.611217197531733e-05, -3.580278965711319e-05, 0.0003200663336259111, 0.00030880175077125656, -2.7448732022225377e-05, -2.6928168972305766e-05, 0.0002879790890173606, 0.0002658688584707382, -2.1225327241330565e-05, -2.0982896963963763e-05, -1.9012933281881448e-05, -1.8722316254946637e-05, 0.00016886895987838378, -1.4593884221723265e-05, -1.4116927208868395e-05, 0.0001341889758080314, -1.1707391276996007e-05, -1.155600055152533e-05, -1.0704921227005947e-05, -1.0158492858016033e-05, -8.562899542745696e-06, -8.144353931759596e-06, 6.867800937316013e-05, 6.488874148931216e-05, 6.313784521194824e-05, 5.760191799518925e-05, 5.164498727110365e-05, 4.248107851756808e-05, 3.3716208690743865e-05, 3.122332557285569e-05]
-------------
C: [2.7078057450805035, 2.734359836336988, 3.0867592716530665, 3.138715071984113, 3.1488642137778005, 3.213256547574434, 3.414359791771242, 3.502360205829507, 3.5299574706115338, 3.5920764254982784, 3.8479754448279913, 3.9495892993974504, 3.9725659318362054, 4.0712733522576725, 4.169519613745255, 4.310546481023976, 4.550468598005841, 4.629271695471662, 4.688021657460709, 4.719030522988748, 4.9350094062272705, 5.133776838713862, 5.167346905550419, 5.1970296037305035, 5.512516128991449, 5.544744596242015, 5.59331732430512, 5.72437920253268, 5.799339694974689, 5.945291221323031, 6.022333469259326, 6.258785648741899, 6.276311593593909, 6.315215585396041, 6.338892523459777, 6.5161286704849735, 6.657067956156293, 6.716916500259177, 6.733378219270492, 6.959300866955309, 7.017603787742331, 7.089624070137232, 7.13731313873405, 7.154557090829149, 7.182889923787174, 7.342422778149714, 7.427264076576277, 7.443407206768228, 7.500555272644668, 7.599183085182546, 7.601233881963725, 7.6064473746518955, 7.7520536578448285, 7.752311949726804, 7.770974966085022, 8.06295524331431, 8.391299587376857]
C Index: [32, 35, 52, 36, 34, 54, 39, 33, 31, 55, 57, 46, 49, 37, 56, 53, 48, 50, 38, 40, 42, 51, 43, 47, 28, 11, 45, 14, 44, 15, 41, 17, 21, 13, 29, 12, 20, 10, 18, 23, 26, 19, 30, 16, 27, 25, 3, 1, 24, 4, 6, 22, 8, 2, 5, 7, 9]
Global Index: [53, 56, 84, 57, 55, 86, 63, 54, 52, 87, 89, 74, 77, 61, 88, 85, 76, 78, 62, 64, 66, 79, 67, 75, 49, 20, 69, 23, 68, 24, 65, 30, 34, 22, 50, 21, 33, 19, 31, 40, 43, 32, 51, 29, 44, 42, 3, 1, 41, 4, 6, 39, 13, 2, 5, 10, 16]
H: [3.1003618732612983, 3.4335003246809546, 3.7696053901995623, 3.9837486939790994, 4.049427881036685, 4.058174432430139, 4.2802438787203085, 4.288913311287323, 4.434947606087878, 4.595983530436919, 4.927242369175425, 4.9658126105978955, 4.967494371846631, 4.996420373054709, 5.079528491310746, 5.299689981368413, 5.400043221734861, 5.456394874194564, 5.763192485329115, 5.882813367741357, 6.095034665553519, 6.111546042689036, 6.150067436248788, 6.2612095049530065, 6.272799432526327, 6.430063213106388, 6.760854481424442, 6.887758070274778, 6.939170869369047, 7.056276923155278, 7.093523479171779, 7.120045120642826, 7.1400402544579995, 7.408867177732938, 7.581174571962506, 7.654726206759013, 7.6736141733704, 7.770468344165358, 7.878204817339249, 7.878591839837121, 7.942330033041201, 8.139798153196198, 8.394820185958718, 8.504393010861726, 8.667621215300487, 8.869163165191658, 9.060403749535912, 9.152937279972582]
H Index: [24, 33, 23, 30, 34, 46, 45, 22, 36, 47, 35, 48, 29, 25, 31, 44, 26, 43, 12, 32, 28, 37, 13, 38, 17, 27, 11, 40, 16, 14, 10, 20, 39, 21, 1, 15, 19, 41, 42, 2, 18, 3, 7, 6, 4, 5, 9, 8]
Global Index: [60, 90, 59, 81, 91, 103, 102, 58, 93, 104, 92, 105, 80, 70, 82, 101, 71, 100, 27, 83, 73, 94, 28, 95, 38, 72, 26, 97, 37, 35, 25, 47, 96, 48, 7, 36, 46, 98, 99, 8, 45, 9, 15, 14, 11, 12, 18, 17]
Dummy atom index = 17
Sum Hydrop. =0.07203662842851227 Individual = [0.007981617582681413, 0.007054924262679019, 0.004959606558275763, 0.004708505783752176, 0.005135014292977956, 0.004814779708064364, 0.0004883628113139473, 0.0036059549612924265, 0.0031839679937068527, 0.003296530049473667, 0.002552239976573641, 0.0020927864065488928, 0.002253266426943001, 0.00025319122542253, 0.001850446991350606, 0.0014586906310645853, 0.001264248965355028, 0.001168446565867106, 0.00013664642218950255, 0.0009695290540488241, 0.0008606541273726775, 0.0007055130586242493, 0.0006822220654638361, 0.0006011300867227608, 5.9913524136292244e-05, 0.0004245782694373828, 0.00044558356063140875, 0.0003908496335314752, 0.0003626225276902742, 0.00031337824087135645, 0.00026335620199418404, 0.00020789960950006494, 0.0002250652873209459, 0.00021647748230043843, 2.622008876540457e-05, 0.00017707501371526773, 0.00015379709418429437, 0.00013148916661107012, 0.0001424974208588446, 0.00010318671336979615, 0.00010724311198578241, 9.97910050446138e-05, 1.1800067460700694e-05, 8.488385195560705e-05, 9.090474461374394e-05, 7.750010889301781e-05, 7.119610009726366e-05, 6.358857135541554e-05, 6.616468404366141e-05, 5.995048876973564e-05, 5.4304499288584774e-05, 5.402211990962364e-05, 6.3812546354833035e-06, 5.143866720290861e-05, 4.582665914646505e-05, 4.676093989824562e-06, 3.3673254687444297e-06, -0.0004833531614540478, -0.00034640517577258853, -0.00024752313506858856, -0.00019980876795001241, -0.00018710717140870127, 0.0020347832465429975, 0.0016295759933101204, -0.00014725946981142482, -0.00012725104108052192, 0.0011883671267595274, -7.777865791467375e-05, 0.0008209862827056634, -7.471008360278172e-05, -7.25799759052408e-05, -6.679184228169482e-05, 0.0005879424273943605, -4.847587352740989e-05, 0.0005026650972353624, -3.37141273102771e-05, -2.9913086945499455e-05, -2.419327682246753e-05, 0.00026106592697223914, -2.289782680279296e-05, 0.00022477715898656597, -2.0253143383853334e-05, -1.7305878297254137e-05, -1.2431765880476304e-05, 0.00012012837247424047, -1.0401380872084701e-05, -9.251933157686387e-06, -8.913669200183917e-06, -8.680371455955872e-06, 9.334280181940295e-05, -6.502861203038806e-06, -5.473590890079885e-06, -5.085448550367942e-06, -4.990296213847004e-06, 4.969233360149813e-05, 4.461696619011529e-05, -4.0654222129369105e-06, -3.8143848621043585e-06, -3.1308711536224085e-06, 2.661563502271799e-05, 2.3853381780564706e-05, 2.0260998797188808e-05, 1.6562744181753084e-05, 1.3679731192670424e-05, 1.247069799304422e-05]
-------------
C: [3.548489205468102, 3.6660847372529757, 3.6852710436232936, 3.870191131078167, 3.8881987362273005, 3.9683515893312453, 3.99377957081896, 3.998977426732044, 4.013498261698031, 4.034133169779523, 4.281677953232452, 4.335408408815504, 4.377469394631404, 4.401795362838911, 4.422146645413268, 4.434832420430847, 4.641628540333924, 4.698606083892095, 4.71536090750263, 4.719239160832261, 4.7680947325692, 4.9189680874212165, 4.933024816372342, 4.96581243492833, 5.35372853253525, 5.366639218270633, 5.489094814098239, 5.534462030248947, 5.551713144388038, 5.587010904643511, 5.593854475055342, 5.727310522884612, 5.7622915182163625, 5.777819431030187, 5.808287560477553, 5.9275914171567825, 5.954859541401427, 6.1252623615238395, 6.162944209039141, 6.232925602323403, 6.259932761080612, 6.26177133535993, 6.349905573228158, 6.3608551910646565, 6.582254855835755, 6.586491128562791, 6.597056297772877, 6.606121642992172, 6.6746587209778205, 6.685222891405488, 6.735924967152912, 6.784336965583093, 6.7946367315913285, 6.86313525805075, 7.128606172318665, 7.14905925075903, 7.490020025073534]
C Index: [4, 5, 1, 2, 3, 22, 25, 6, 10, 12, 24, 13, 26, 9, 15, 8, 27, 14, 23, 16, 11, 19, 18, 7, 20, 21, 41, 53, 45, 56, 17, 30, 44, 28, 57, 42, 55, 43, 54, 40, 47, 52, 51, 50, 29, 48, 49, 34, 31, 35, 46, 33, 32, 36, 38, 39, 37]
Global Index: [4, 5, 1, 2, 3, 39, 42, 6, 19, 21, 41, 22, 43, 16, 24, 13, 44, 23, 40, 29, 20, 32, 31, 10, 33, 34, 65, 85, 69, 88, 30, 51, 68, 49, 89, 66, 87, 67, 86, 64, 75, 84, 79, 78, 50, 76, 77, 55, 52, 56, 74, 54, 53, 57, 62, 63, 61]
H: [3.9438707684135887, 4.238132451086236, 4.266644216566506, 4.44994591157863, 4.477801173541542, 4.713935421380671, 4.765737793059547, 4.859097843549647, 4.896422999456528, 5.060941156129312, 5.088158228317285, 5.1582699126395415, 5.182215561268445, 5.227243011216429, 5.263122393387702, 5.279229973063075, 5.3369442399329134, 5.685374267714627, 5.6924157943265365, 5.694286171341076, 5.724312331607751, 5.8704121727097744, 5.891448533586773, 6.05500197371918, 6.105387638139262, 6.322985259944488, 6.342136868825551, 6.370418921615362, 6.417248287086373, 6.5033494231162505, 6.556848676239762, 6.576759167163986, 6.5956516176369355, 6.651283973174181, 6.688100696369884, 6.828078839982789, 6.973186579428882, 6.991022760081624, 7.132333293315497, 7.149765449745287, 7.289583113078536, 7.296313606598503, 7.789001236475434, 7.8067173921259485, 7.898064327310574, 7.921862381487625, 8.208415787274193, 8.21466873034126]
H Index: [2, 19, 10, 3, 1, 18, 11, 20, 13, 9, 6, 15, 14, 8, 7, 21, 12, 5, 28, 4, 35, 16, 17, 27, 36, 25, 34, 41, 38, 42, 37, 32, 31, 26, 33, 23, 29, 30, 22, 24, 39, 40, 44, 45, 43, 46, 48, 47]
Global Index: [8, 46, 25, 9, 7, 45, 26, 47, 28, 18, 14, 36, 35, 17, 15, 48, 27, 12, 73, 11, 92, 37, 38, 72, 93, 70, 91, 98, 95, 99, 94, 83, 82, 71, 90, 59, 80, 81, 58, 60, 96, 97, 101, 102, 100, 103, 105, 104]
Dummy atom index = 18
Sum Hydrop. =0.04835665453885926 Individual = [0.0034433940765608135, 0.0027787493407865293, 0.002725943598056323, 0.0024961653879724643, 0.0024516177293987446, 0.002053887003279634, 0.002205969885982224, 0.001991938448989485, 0.0019632228314476205, 0.0021187232587278147, 0.0016541195732441962, 0.0015675884694637992, 0.0015030215459522877, 0.00018193018677857355, 0.001437348641367333, 0.0001760179479393553, 0.001154097092616803, 0.0010901777503973331, 0.0009730933887489102, 0.0009693267946979753, 0.0009231079956796504, 0.0008745714825394527, 0.000862363868829073, 0.00010350355420590957, 0.0005662148427686749, 0.0005589516084325068, 0.00044887576248353546, 0.00042896654622017025, 0.0004645127353419544, 0.00044840247685082985, 0.00040423099737572053, 4.833267651490077e-05, 0.0003763089950937021, 4.595207273021401e-05, 0.00035939230344235766, 0.000318974353315409, 0.0003103940372325283, 0.0002617630638247596, 0.00025208287702841353, 0.00021334602177220584, 0.00020766126202459494, 0.00020727981213885326, 0.00020909664186350192, 0.00020681960264905746, 2.055621917401194e-05, 0.0001650438161408261, 0.00016330927926845744, 0.0001618355144606303, 0.00013716467952982513, 0.0001357232755027506, 0.00012901336429021752, 0.0001354178460183004, 0.00013403023220683993, 0.00011360252205702181, 1.1903258841803507e-05, 1.1662273402921225e-05, 8.292888680949207e-06, -0.00020793773302988654, -0.0001549305561640571, -0.0001505755913646127, -0.00012535673231330415, -0.00012191307238354411, -9.62716633379556e-05, -9.141153278844754e-05, -8.326361002769965e-05, -8.021306793307923e-05, 0.0007464867413596302, 0.0007264435535432893, -6.173429000251217e-05, -6.027358099424649e-05, 0.0006321179463221524, 0.000609839994396146, -5.4700862099217305e-05, -5.1633216857791576e-05, 0.00039979213285208025, -3.618677239265783e-05, 0.000396245052986772, -3.5050753505149496e-05, -3.0286354669918605e-05, -2.9655894526523505e-05, -2.5181446394060864e-05, -2.394409659447458e-05, -1.9261806221040765e-05, -1.8896421661080672e-05, 0.00020152230907351124, 0.00019230270610263054, 0.00017643800862570785, 0.00016724676150781597, -1.4944603663324948e-05, -1.466491381108653e-05, -1.3871348720061894e-05, -1.3369937901583556e-05, -1.1623519666881274e-05, -1.0053520417190741e-05, -9.875793705351766e-06, -8.57435824097687e-06, -8.42618393789939e-06, 8.037762961099369e-05, 7.983846495318894e-05, 4.877987232414904e-05, 4.792329058508367e-05, 4.3739635617551325e-05, 4.271100564175278e-05, 3.206942950861828e-05, 3.186952683306954e-05]
-------------
C: [4.386529395044469, 4.462672940023012, 4.507066634896521, 4.515375233214502, 4.523124145805053, 4.590652831683324, 4.625237693892978, 4.6479776975361045, 4.6576555728501425, 4.662915556883014, 4.663450584152035, 4.7294342096768425, 4.771830726720447, 4.826450608796273, 4.840913621546108, 4.860846024518555, 4.907651256108797, 4.913451456632019, 4.936456132339904, 4.960840744908176, 5.061557402583192, 5.118271352506959, 5.146842648870663, 5.156946561413265, 5.178058604475073, 5.235807964280638, 5.282899942302896, 5.299667954618156, 5.3474427175035775, 5.349043318297131, 5.352458264554978, 5.363120057430105, 5.3978044806330425, 5.4438897301161235, 5.48791367171281, 5.5126657248172055, 5.546712883425123, 5.593758933504004, 5.618636824006638, 5.640975206080826, 5.687879823083972, 5.695169896163808, 5.734243110611818, 5.748650384130404, 5.833163542226799, 5.877924473030512, 5.915467788245321, 5.941141343658148, 5.946669702814606, 5.959576864257044, 5.963849587310078, 6.007595640413073, 6.038288410898221, 6.1814170782222, 6.269499177613278, 6.48496185503409, 6.666676647631588]
C Index: [12, 15, 4, 10, 25, 1, 26, 5, 13, 22, 11, 14, 3, 2, 24, 23, 6, 56, 27, 53, 45, 55, 41, 57, 8, 42, 9, 16, 44, 18, 54, 52, 19, 28, 40, 43, 21, 20, 34, 30, 35, 17, 31, 7, 32, 33, 50, 47, 36, 51, 49, 48, 46, 39, 38, 29, 37]
Global Index: [21, 24, 4, 19, 42, 1, 43, 5, 22, 39, 20, 23, 3, 2, 41, 40, 6, 88, 44, 85, 69, 87, 65, 89, 13, 66, 16, 29, 68, 31, 86, 84, 32, 49, 64, 67, 34, 33, 55, 51, 56, 30, 52, 10, 53, 54, 78, 75, 57, 79, 77, 76, 74, 63, 62, 50, 61]
H: [4.7097910814423845, 4.805456454596591, 4.8110031380182035, 4.834376002513734, 4.973849933126515, 5.153505892096212, 5.1542241063296705, 5.245805288403661, 5.268310604570208, 5.284562179932414, 5.330341226321368, 5.334001545936144, 5.4826389369136255, 5.492169696121031, 5.562599900048315, 5.574421013481945, 5.633934800255203, 5.716472174489802, 5.765999743480481, 5.840165807275227, 5.865853001831405, 5.877738291626903, 5.928366108117591, 5.960873733268936, 5.989054752450748, 6.032769372342815, 6.038962013423574, 6.1037137991706985, 6.105945940833804, 6.222519218878359, 6.227435898059909, 6.246330646642149, 6.285399386112934, 6.297314127542736, 6.301900423761907, 6.302643616931953, 6.376483676572919, 6.453194875348201, 6.462961769127218, 6.4918472563720595, 6.842172693567123, 6.917605270170426, 6.969687006982637, 7.070382665910639, 7.198029469230329, 7.224231436668787, 7.380912416857439, 7.406184888378497]
H Index: [10, 19, 2, 13, 20, 35, 11, 1, 12, 28, 18, 3, 21, 34, 36, 25, 14, 15, 27, 6, 23, 33, 9, 17, 7, 26, 16, 38, 8, 31, 24, 37, 41, 32, 22, 30, 29, 42, 4, 5, 45, 44, 46, 43, 40, 39, 47, 48]
Global Index: [25, 46, 8, 28, 47, 92, 26, 7, 27, 73, 45, 9, 48, 91, 93, 70, 35, 36, 72, 14, 59, 90, 18, 38, 15, 71, 37, 95, 17, 82, 60, 94, 98, 83, 58, 81, 80, 99, 11, 12, 102, 101, 103, 100, 97, 96, 104, 105]
Dummy atom index = 19
Sum Hydrop. =0.03644906894154464 Individual = [0.0014894656709677275, 0.0013802627789547964, 0.001320328019964745, 0.0011885219224207731, 0.0012992961500310107, 0.001102337422226533, 0.0011731696011193593, 0.0010409231761463358, 0.0011357477763054061, 0.0010254895716431134, 0.0010249410535073523, 0.0010570823689111948, 0.0010132025074008134, 0.0009593457203288998, 0.0009455705463248644, 0.0008413392275552575, 0.0008028675121101748, 0.0008794095030240628, 0.000859409896820093, 0.0007612792336006006, 0.0007583497698397689, 0.0007165376314277836, 0.0006320688426301499, 0.0006893544349808024, 8.37101120083093e-05, 0.000637079311262745, 7.537822535376968e-05, 0.0005424918220177758, 0.0005697851740036334, 0.0005688739048855551, 0.0005669345443635696, 0.000509138920634562, 0.0005418003842962691, 6.416954088578271e-05, 0.00044940626190839993, 0.0004830095350499789, 0.0004668412369455476, 0.0004453868302743274, 0.00043444323665989374, 5.2690921919507124e-05, 0.00036795518181781704, 0.00036528251545540837, 0.00035128499819924125, 4.7312191138847504e-05, 0.00035056234928755917, 0.00033521685358942966, 0.00032286501683283285, 0.00028563067256623457, 0.0002840559604199706, 0.0003089332565424237, 0.0003076160862511525, 0.00029444919608651477, 0.0002591877115988733, 3.06919777378802e-05, 2.810420500877791e-05, 2.2656720804232163e-05, 1.88920602189581e-05, -9.667147374011415e-05, -8.785194797540451e-05, -8.736600995005872e-05, -8.534769482238639e-05, -7.423676478483098e-05, -6.202909509950935e-05, -6.198456091497728e-05, -5.6560120635392254e-05, -5.530143393464459e-05, -5.440996204545489e-05, -5.197527977172817e-05, -5.178538139209864e-05, -4.463286655688144e-05, -4.420950214980239e-05, -4.120293710686322e-05, -4.071874002624171e-05, -3.836611478721683e-05, -3.532663699150483e-05, -3.3619615772779234e-05, 0.0003424594322163836, -3.0424750581721913e-05, -3.006528401775865e-05, 0.0003135481396418932, -2.766687113700829e-05, 0.0002950852387232606, -2.5747565282965686e-05, -2.558861252911192e-05, 0.0002631186872521182, 0.0002625320240692128, -2.1297511267470322e-05, -2.1193055236024598e-05, 0.00022814659097693618, 0.00021940506335508302, -1.9762680092255158e-05, -1.9672250115107967e-05, -1.965763526468418e-05, -1.825840946121211e-05, 0.00018551284715144785, 0.00018370978238288452, 0.0001784791442586893, 0.0001257312029534868, 0.00011659585701813439, 0.00011067876592236778, 0.00010007664535554617, 8.808388003006032e-05, 8.580588339753562e-05, 7.336203702075737e-05, 7.153122899466034e-05]
-------------
C: [4.351212603167906, 4.366843205881465, 4.50736433456215, 4.537577749021488, 4.616896969164105, 4.6316294421451625, 4.636519854174811, 4.657362995182829, 4.691668003591, 4.719694755562847, 4.734681387561207, 4.770829626270651, 4.817885330897042, 4.835807209995678, 4.887177662663565, 4.92026928487283, 4.965702040571446, 4.984959039581749, 5.007271128940875, 5.025945462263615, 5.061930021093433, 5.0619570473367554, 5.097674341604792, 5.15671841381472, 5.164209397071417, 5.192978799921919, 5.198174646945949, 5.225972255859275, 5.280972771160405, 5.403006828293858, 5.435914707136377, 5.441861079091637, 5.453232861770662, 5.458590836119463, 5.480467467422032, 5.525949989580476, 5.528739836266121, 5.549823904484175, 5.614716337077217, 5.636241305415058, 5.6940888258392315, 5.719424098024349, 5.730542446024847, 5.779927573715605, 5.797488384397482, 5.846217686988747, 5.893320890909305, 5.898199307598053, 5.906758417532665, 5.964789384734744, 5.991806288697958, 5.9931518262288055, 5.996402523634662, 6.006358245827164, 6.2001823509037015, 6.54090066698165, 6.590498413552382]
C Index: [55, 56, 52, 53, 54, 57, 34, 42, 35, 15, 45, 11, 31, 40, 32, 12, 14, 41, 33, 43, 36, 26, 44, 13, 10, 25, 23, 39, 28, 27, 46, 49, 22, 38, 4, 24, 1, 48, 50, 5, 3, 51, 30, 47, 2, 6, 21, 37, 18, 17, 16, 20, 8, 19, 9, 29, 7]
Global Index: [87, 88, 84, 85, 86, 89, 55, 66, 56, 24, 69, 20, 52, 64, 53, 21, 23, 65, 54, 67, 57, 43, 68, 22, 19, 42, 40, 63, 49, 44, 74, 77, 39, 62, 4, 41, 1, 76, 78, 5, 3, 79, 51, 75, 2, 6, 34, 61, 31, 30, 29, 33, 13, 32, 16, 50, 10]
H: [4.70161205110162, 4.727525176024364, 4.916116015069507, 4.918719572527826, 4.976688103322778, 5.044759388875335, 5.13467856101343, 5.158418079614266, 5.278970966138803, 5.306600719001575, 5.333176327716817, 5.38769147523322, 5.497550072632158, 5.5271180653168015, 5.527903734245407, 5.641848737948473, 5.693838385864468, 5.707208940640505, 5.721659352853401, 5.852212429213004, 5.88946669034382, 5.890140667562592, 5.9438681602354375, 5.994736908104003, 6.033006742858523, 6.050114711399692, 6.081631598339185, 6.0858840841708, 6.086134120380091, 6.16916277131858, 6.193130509205288, 6.21506915034744, 6.253089345925178, 6.292948590802522, 6.358478878554418, 6.36210541579175, 6.383444191953899, 6.556972966186004, 6.593553962878755, 6.657706772224188, 6.657756315497024, 6.7850642095655, 6.8321244161645005, 7.017199025712369, 7.237890869167762, 7.287993870556823, 7.296644279299038, 7.346065684169945]
H Index: [34, 35, 25, 23, 13, 28, 33, 36, 20, 10, 24, 12, 19, 26, 22, 27, 11, 30, 2, 21, 45, 29, 38, 31, 46, 18, 1, 44, 37, 32, 17, 14, 3, 43, 41, 16, 15, 42, 47, 48, 6, 7, 9, 8, 40, 4, 39, 5]
Global Index: [91, 92, 70, 59, 28, 73, 90, 93, 47, 25, 60, 27, 46, 71, 58, 72, 26, 81, 8, 48, 102, 80, 95, 82, 103, 45, 7, 101, 94, 83, 38, 35, 9, 100, 98, 37, 36, 99, 104, 105, 14, 15, 18, 17, 97, 11, 96, 12]
Dummy atom index = 20
Sum Hydrop. =0.036086032755964045 Individual = [0.0015430087396510594, 0.001519078095471389, 0.001198081289525669, 0.0011624245315716754, 0.0011829956068628129, 0.0011656949099917103, 0.0011600080983409135, 0.0011360801193561613, 0.0009964240915678094, 0.0010674280731135502, 0.0010515501965224427, 0.0009205868425508562, 0.0008782713797235405, 0.0008626713150284135, 0.0009028211365759974, 0.0008734342324090618, 0.0008346396534976612, 0.0007431381224183033, 0.0008006556789263969, 0.0007858427095409103, 0.0006880840142435111, 0.0007580467598850887, 0.0007314492045853774, 0.0006895117274819605, 0.0006211866300262077, 0.0006649576268860086, 0.000600442160723021, 7.979382586410838e-05, 7.552363216134209e-05, 0.0005389890693936982, 0.00047339316466522326, 0.0005184486776863039, 0.0004652654502806353, 6.323307804858556e-05, 0.0004988146840657708, 0.00047663553916321396, 0.0004314282123584059, 0.00046539114083550114, 0.0004361498088018176, 0.0003874549794125144, 0.00040286974396765564, 0.00039279114052520223, 4.8176721172832566e-05, 0.00033559779074874007, 0.00036329447641229195, 0.0003140723201408381, 0.00033009524323080933, 4.074035316848953e-05, 0.00032568924874370775, 0.0002789553074288566, 0.0002715196945710332, 0.0002987330285258573, 3.692969107071612e-05, 0.00029481377144284553, 3.0121404629628518e-05, 2.1424127071849486e-05, 2.0387459341215573e-05, -9.74653949840151e-05, -9.497220471474376e-05, -7.864888304348673e-05, -7.844438248744177e-05, -7.402636692525212e-05, -6.915497869420419e-05, -6.320800040646082e-05, -6.17251436971327e-05, -5.471503183621546e-05, -5.3223962818962885e-05, -5.182813326970624e-05, -4.90783483772481e-05, -4.3972277135089933e-05, -4.2691138846831075e-05, -4.265761091816291e-05, -3.806368602488363e-05, -3.6135329995901765e-05, -3.565539622707529e-05, -3.514386586746942e-05, -3.08426050092654e-05, 0.00032598531082576084, -2.969470583785689e-05, 0.000308724981056431, -2.6745668493669887e-05, 0.0002823965444056002, -2.5304815952309317e-05, -2.4519723745926617e-05, 0.00026785209067943186, 0.00026778512633013265, -2.24647333201e-05, -2.1932705697957874e-05, -2.1456771699893355e-05, -2.0656294615219224e-05, 0.00021775496592017828, 0.00020394291644201568, -1.8522830032473248e-05, -1.813176279567937e-05, 0.00016722597570857875, 0.00016121921923671943, 0.00015120132692326987, 0.0001511938361002384, 0.00013312050921695807, 0.0001270009536790384, 0.00010554316183460434, 8.464179223719615e-05, 8.050547071611886e-05, 7.981206891684112e-05, 7.596352779835955e-05]
-------------
C: [3.6640896490439503, 3.697215249081534, 3.6975019175104396, 3.724192494831155, 3.9423969957053684, 3.967771931766179, 3.9978326345596944, 3.999579221971596, 4.1947028746740385, 4.228875798899841, 4.238912018309908, 4.279005111170085, 4.290880439150535, 4.309209064374659, 4.318896418799598, 4.605980063329881, 4.704335466962579, 4.720784669336358, 4.963608614036302, 5.020920632750692, 5.037600993442182, 5.065590005932793, 5.076796164410737, 5.160967680751474, 5.208928164241081, 5.244986688530084, 5.304847917312184, 5.380413140996631, 5.48245564851332, 5.583588410488081, 5.643934316871171, 5.648634138013847, 5.693348333469984, 5.7870315502379635, 5.789470187285859, 5.911810543046397, 5.956123369651799, 5.988124261884204, 6.001363713912353, 6.295855929372771, 6.303389231101729, 6.379376022410175, 6.381415568846625, 6.461996415315089, 6.485355420729826, 6.522698722024763, 6.570184592929395, 6.628026510880945, 6.638894985509336, 6.7094251276312615, 6.74626065382852, 6.761435111968035, 6.776954895474629, 6.802314432289489, 6.863045646032521, 7.139712218887507, 7.471436102859361]
C Index: [34, 55, 35, 52, 31, 32, 54, 56, 33, 36, 42, 57, 39, 53, 40, 45, 43, 38, 46, 41, 44, 49, 11, 15, 37, 48, 28, 14, 50, 12, 26, 51, 23, 13, 47, 10, 25, 30, 27, 24, 22, 21, 17, 4, 1, 20, 18, 5, 3, 19, 29, 16, 2, 6, 8, 9, 7]
Global Index: [55, 87, 56, 84, 52, 53, 86, 88, 54, 57, 66, 89, 63, 85, 64, 69, 67, 62, 74, 65, 68, 77, 20, 24, 61, 76, 49, 23, 78, 21, 43, 79, 40, 22, 75, 19, 42, 51, 44, 41, 39, 34, 30, 4, 1, 33, 31, 5, 3, 32, 50, 29, 2, 6, 13, 16, 10]
H: [3.997420796869167, 4.0057937774101395, 4.38887499385625, 4.483813290112875, 4.487801867286255, 4.492442590062199, 4.8375087017139435, 4.927071799777748, 4.955432233896777, 4.997258963643934, 5.120332386032201, 5.167568278796629, 5.236520908217661, 5.306944282902195, 5.312504823342493, 5.543281527195647, 5.586778399986637, 5.683251027218006, 5.693343597743297, 5.744204537219254, 5.871289433971718, 5.929080516020857, 5.950110525892306, 5.983188475135446, 6.011479880277555, 6.088136867328834, 6.201691170728912, 6.27325289344943, 6.346145679892442, 6.359044811975222, 6.570975220172661, 6.584395329496586, 6.658004228458301, 6.8076475275507535, 6.817896188980917, 6.840704529006409, 6.892963640820561, 6.9608916578259885, 7.1287211603389125, 7.193794565053744, 7.413669821893599, 7.502833839736902, 7.519567916882878, 7.629247395910065, 7.759531130424372, 7.949816884717058, 8.15229013746123, 8.233181722287748]
H Index: [23, 34, 25, 24, 35, 33, 22, 36, 45, 28, 46, 26, 30, 13, 44, 29, 43, 12, 27, 20, 47, 31, 38, 48, 10, 37, 32, 19, 11, 21, 17, 41, 2, 42, 16, 18, 14, 1, 15, 3, 40, 39, 6, 7, 9, 8, 4, 5]
Global Index: [59, 91, 70, 60, 92, 90, 58, 93, 102, 73, 103, 71, 81, 28, 101, 80, 100, 27, 72, 47, 104, 82, 95, 105, 25, 94, 83, 46, 26, 48, 38, 98, 8, 99, 37, 45, 35, 7, 36, 9, 97, 96, 14, 15, 18, 17, 11, 12]
Dummy atom index = 21
Sum Hydrop. =0.04709481539806161 Individual = [0.003067482496742202, 0.0029675348505657966, 0.0026928059897378363, 0.0026218841262667263, 0.0021078926210693367, 0.0022640945205543305, 0.002197047044062588, 0.002193213058522166, 0.0018044285807872853, 0.0015828228825252397, 0.0017263939692904009, 0.0016585466874686652, 0.00020327056986345772, 0.0014606428133503333, 0.0014465613648428517, 0.0011959810097503327, 0.00108394956332229, 0.00013224201857288257, 0.0007591750257413994, 0.0007168885093952275, 0.0007767364674736569, 0.0007552978038377986, 0.0006779305173382588, 0.0006865880242927776, 8.116549536725027e-05, 0.000631258490659706, 7.374184920704169e-05, 0.0005513054319784696, 0.0004978239353631305, 0.0004499397608793568, 0.00042359076095302504, 0.0004216046310224303, 0.00036594850684665276, 0.00036711331820318653, 0.00033241054224327247, 0.0002941325224029556, 0.00031000200026540606, 3.7236673607545076e-05, 0.0002962899114789353, 0.0002207092424350097, 0.00019883030737666784, 0.00020302438544437208, 0.00018390611750594119, 0.00018692467052220237, 0.0001657508147464155, 0.00017591543516532176, 0.00016775717159966583, 0.00014371245377297514, 0.0001566175950787546, 0.00014595188198598602, 1.7446825867100173e-05, 0.00012576383883839779, 0.0001364212089427567, 0.00012072636435092758, 1.5523775332999067e-05, 1.1771792084055524e-05, 8.448444016368635e-06, -0.00019709555186517695, -0.00019545216427191043, -0.00013325098418309582, -0.00012118231567918291, -0.00012069993331020851, -0.0001201410960878943, -8.50807445228879e-05, -7.779192570501374e-05, 0.0008295528145787673, -7.251913653370809e-05, 0.0007034428424490127, -6.116292247852383e-05, -5.708769159371324e-05, -5.3205680127506604e-05, 0.0005804561085440638, -4.200664901643281e-05, 0.0004412186739701747, -3.6519940104313495e-05, -3.615321375190849e-05, -3.436040574345485e-05, 0.0003319650120285731, -2.856062231124844e-05, 0.00030680380940378084, 0.0002968213779234259, -2.630159444383176e-05, 0.00026724935716956265, -2.174574860812312e-05, -2.0243961456738656e-05, -1.882082111220487e-05, -1.857960791975152e-05, -1.5031292920077487e-05, 0.00016270254922912868, -1.3778442242802342e-05, 0.00013014789847025368, -1.1742482561983112e-05, -1.1477687276644257e-05, -1.0893276913857457e-05, -1.017789065702812e-05, -8.6053859675331e-06, -8.063235298768118e-06, 7.099782125243606e-05, 6.494139008590868e-05, 6.386369809337934e-05, 5.722962111276268e-05, 5.023881230498713e-05, 4.153357462095249e-05, 3.392081624352816e-05, 3.128495432833168e-05]
-------------
C: [2.7076359068506957, 2.7117871513643603, 3.06967200733735, 3.098696935582008, 3.142128113527602, 3.2257944878920664, 3.393011032572471, 3.4811349090307395, 3.4847733795176095, 3.5566267619788725, 3.8631526401244782, 3.9900753351777465, 4.030597986533262, 4.095778542879851, 4.14340176587952, 4.306849625023205, 4.582730254094805, 4.634340316409421, 4.661078442099982, 4.691790366786025, 4.86893748288885, 5.120471204384572, 5.17383453979768, 5.2506638984470735, 5.513088920186688, 5.530786592338329, 5.548594711010111, 5.744184556387012, 5.753461848071059, 5.936286244773161, 5.968950271324562, 6.309311438841742, 6.331238425239556, 6.335918973583122, 6.393445677085248, 6.5105854980580204, 6.696286289185795, 6.725321486512621, 6.781134298374137, 6.918541531304983, 6.975789972997729, 7.088066314832883, 7.123165060525558, 7.1535535522128635, 7.19219597569776, 7.310598892514935, 7.4484408893149485, 7.453368747704861, 7.480403178262757, 7.585002765024414, 7.597842173979057, 7.62195872496135, 7.7616598574899776, 7.761826322045588, 7.769472442052141, 8.093745730661752, 8.379143484818961]
C Index: [35, 34, 52, 32, 31, 55, 39, 33, 36, 54, 56, 40, 42, 38, 57, 53, 43, 37, 46, 45, 49, 48, 44, 41, 28, 50, 11, 15, 51, 14, 47, 23, 26, 12, 30, 13, 27, 10, 25, 17, 21, 29, 24, 20, 22, 18, 4, 1, 19, 16, 3, 5, 2, 8, 6, 9, 7]
Global Index: [56, 55, 84, 53, 52, 87, 63, 54, 57, 86, 88, 64, 66, 62, 89, 85, 67, 61, 74, 69, 77, 76, 68, 65, 49, 78, 20, 24, 79, 23, 75, 40, 43, 21, 51, 22, 44, 19, 42, 30, 34, 50, 41, 33, 39, 31, 4, 1, 32, 29, 3, 5, 2, 13, 6, 16, 10]
H: [3.124891009509922, 3.4623130556337047, 3.7103090839802895, 3.9998946142465517, 4.04428618544367, 4.052998809871157, 4.247168130357453, 4.271447200098806, 4.4644413883588845, 4.626816390360771, 4.893137639208501, 4.926466132256927, 4.982266935304758, 4.985828890375096, 5.147387396319948, 5.241099634002559, 5.363038606594428, 5.410363129501331, 5.793089915226768, 5.915899378964994, 6.030847447376858, 6.121932851184193, 6.129556676012411, 6.252183018706535, 6.33436950844234, 6.392446906715045, 6.790859261614516, 6.948256620273194, 6.973271221226289, 7.0711077763103685, 7.080065989557675, 7.105233770203866, 7.189870321462112, 7.381804086115691, 7.610562059548717, 7.641911473168742, 7.680272709041171, 7.716082958478976, 7.832241921364213, 7.869039486879274, 7.9302566800789975, 8.148633880612785, 8.412020218513987, 8.507275435065818, 8.703029512192794, 8.897083501609178, 9.04460139052139, 9.14362518415354]
H Index: [23, 34, 24, 33, 25, 45, 46, 22, 35, 44, 36, 30, 43, 26, 28, 47, 29, 48, 13, 27, 31, 38, 12, 37, 20, 32, 10, 41, 21, 17, 11, 19, 42, 16, 2, 14, 18, 40, 39, 1, 15, 3, 6, 7, 9, 8, 4, 5]
Global Index: [59, 91, 60, 90, 70, 102, 103, 58, 92, 101, 93, 81, 100, 71, 73, 104, 80, 105, 28, 72, 82, 95, 27, 94, 47, 83, 25, 98, 48, 38, 26, 46, 99, 37, 8, 35, 45, 97, 96, 7, 36, 9, 14, 15, 18, 17, 11, 12]
Dummy atom index = 22
Sum Hydrop. =0.07270316358694566 Individual = [0.007246001354942839, 0.007949902697099042, 0.005045080847642942, 0.005399195197780991, 0.004692462851075799, 0.004754789152319837, 0.0004989008380321684, 0.003683310468268036, 0.0033311324018410983, 0.0034154869645247423, 0.002513796601254226, 0.0020097500299688285, 0.0021262265887043263, 0.00024706213021222337, 0.0018994133488227942, 0.0014640931803477355, 0.0012241131057780126, 0.0001441822422776908, 0.0010273752452641227, 0.0010976334727241526, 0.0009194398599048206, 0.0007149630872908255, 0.0006778103843880529, 0.0005697382625442839, 5.987921602382161e-05, 0.00047433580832534247, 0.0004229467371806296, 0.00038318487044967996, 0.0003796463917661903, 0.0003162129486648274, 0.00027779701745873935, 0.00019765627286088367, 0.00021303653873187167, 0.0002120417408293586, 2.482801642524705e-05, 0.00017805929655322308, 0.00014788217330851064, 0.00013038863343514697, 0.00013585223955091147, 0.00010747942500989881, 0.00011182242774847302, 1.2395730172256495e-05, 9.649942589509992e-05, 9.361106266513302e-05, 8.174829796820068e-05, 8.000612762589442e-05, 6.970424573040427e-05, 6.295827576853335e-05, 6.751156667297237e-05, 5.51931140633816e-05, 6.0030930972653995e-05, 5.3190629325567404e-05, 5.096006374209919e-05, 6.319196507279283e-06, 4.589556655773632e-05, 4.534308796094872e-06, 3.4085088299290497e-06, -0.00047164115582409334, -0.00033656671374848263, -0.0002626442247798012, -0.00019660857605692446, -0.00018807169705104514, 0.0020453418166338014, 0.0016843767305679347, -0.00014985411328953885, -0.00012355273321209003, 0.0011522854782283637, -8.047703012586146e-05, -7.783905601900485e-05, 0.0008075880396417724, -7.335279086658019e-05, -6.240978328779804e-05, 0.0006234193322721748, -5.0303307794720385e-05, 0.0005263444689748287, -3.272108029818203e-05, -2.8939575820732586e-05, -2.5797097755096143e-05, 0.00025836831920455887, -2.3372328195662842e-05, 0.0002268152916705297, -1.9043768485208968e-05, -1.79692602865343e-05, -1.2064294003072686e-05, 0.00011307625245295096, -1.0052669505164229e-05, -9.115731584886777e-06, -9.03443559451649e-06, -8.80989633080651e-06, 8.880550936005611e-05, -6.681251743522392e-06, -5.315076385187047e-06, -5.151036567656739e-06, -4.957178528502977e-06, 5.2469710140835644e-05, 4.6715550225101534e-05, -4.104442632538836e-06, -3.860716402604094e-06, -3.103329484056447e-06, 2.6161759758037715e-05, 2.378472521178411e-05, 1.9556143834311927e-05, 1.61067028311837e-05, 1.3897620262700408e-05, 1.2587368709037279e-05]
-------------
C: [3.165894088529372, 3.40843888401159, 3.464109608027577, 3.5104791355052933, 3.6257937313385007, 3.848885186218367, 3.9509708634079264, 3.966058182687524, 3.994767430152815, 4.058400375000535, 4.097689338631808, 4.138043326086673, 4.2686239143484475, 4.382299563589209, 4.436332206890499, 4.536272253624862, 4.671118767147638, 4.827167047940493, 4.84057154039216, 4.8527535475300265, 4.9736299230078584, 4.977694045263178, 5.152463125252053, 5.323553934018381, 5.387739999131834, 5.533154438168804, 5.545605950669399, 5.6442972478762305, 5.647115130627557, 5.709501965299744, 5.815391778461271, 5.868663200630935, 5.873739325812212, 5.912959427335347, 5.948908534099708, 6.125290511606482, 6.1722821998587065, 6.33011650971566, 6.411285650150805, 6.47958540429795, 6.504341443007387, 6.563481307926757, 6.630493072088955, 6.822519593029125, 6.900353670031277, 6.919465391637678, 7.004852560647394, 7.057337232465562, 7.101887006971066, 7.1340259517421645, 7.169012398775279, 7.184700596488939, 7.277617690587876, 7.310706116749539, 7.31430665016229, 7.442123665101764, 7.937395255088213]
C Index: [25, 22, 26, 4, 5, 24, 23, 1, 12, 9, 27, 2, 10, 15, 3, 6, 8, 13, 41, 45, 30, 11, 14, 44, 42, 16, 56, 7, 19, 53, 43, 18, 40, 55, 28, 20, 57, 21, 52, 17, 54, 34, 31, 35, 38, 33, 51, 47, 32, 48, 36, 50, 39, 49, 46, 29, 37]
Global Index: [42, 39, 43, 4, 5, 41, 40, 1, 21, 16, 44, 2, 19, 24, 3, 6, 13, 22, 65, 69, 51, 20, 23, 68, 66, 29, 88, 10, 32, 85, 67, 31, 64, 87, 49, 33, 89, 34, 84, 30, 86, 55, 52, 56, 62, 54, 79, 75, 53, 76, 57, 78, 63, 77, 74, 50, 61]
H: [3.4002586843422034, 3.660950985938154, 3.8781472899676186, 4.000243371628128, 4.486331428733473, 4.611391543915768, 4.659562155943539, 4.684649267711481, 4.858545849941308, 4.873371216005668, 4.970503342902543, 5.130958763222253, 5.147647803148964, 5.397262066056309, 5.515548133711727, 5.520899293626844, 5.6214932803725235, 5.68464611380845, 5.736016579747369, 5.776865655610282, 5.824231950621542, 5.902546165990356, 6.120712791084644, 6.14918251431934, 6.266363125568608, 6.4110881902076935, 6.438663910129751, 6.475924753986728, 6.542222733062017, 6.599226765268645, 6.646629195954521, 6.836012143830749, 6.881985054284561, 7.137291038641879, 7.177022048062125, 7.2608995309418125, 7.396723182127436, 7.48259689368004, 7.488132711212527, 7.5679122444612, 7.698974875103414, 7.709095855535211, 7.81352341341703, 8.09332197814804, 8.144050650304376, 8.205663728994065, 8.60179190903073, 8.707860995143461]
H Index: [19, 2, 20, 10, 18, 9, 13, 3, 21, 28, 8, 6, 1, 11, 35, 41, 7, 27, 15, 25, 42, 12, 14, 34, 5, 4, 38, 26, 16, 36, 23, 37, 17, 33, 32, 22, 29, 44, 31, 24, 30, 43, 45, 39, 46, 40, 48, 47]
Global Index: [46, 8, 47, 25, 45, 18, 28, 9, 48, 73, 17, 14, 7, 26, 92, 98, 15, 72, 36, 70, 99, 27, 35, 91, 12, 11, 95, 71, 37, 93, 59, 94, 38, 90, 83, 58, 80, 101, 82, 60, 81, 100, 102, 96, 103, 97, 105, 104]
Dummy atom index = 23
Sum Hydrop. =0.05171258858228451 Individual = [0.005048306053509237, 0.00359536962501568, 0.0037465568039168184, 0.0035767969924638677, 0.002892994008553735, 0.002549919154062994, 0.002089897084519232, 0.0020586028069391484, 0.0022037917740513825, 0.00025647161922616696, 0.0019882552631237675, 0.0019096185584765429, 0.0015211426136527097, 0.001495779202889077, 0.0014171029813801691, 0.0011639430624484305, 0.00013897577259345306, 0.0009586586536521361, 0.000858571039150507, 0.0009344410771037283, 0.0001026975708918664, 0.0007485566757023511, 0.0006924520503741072, 0.0005835605318318204, 0.0005472808570382224, 0.00042952782636141476, 0.00046735828491831883, 5.251617090045877e-05, 0.0004222455382191954, 0.00036008459861576697, 0.00035684814998765364, 0.0003383358086365949, 0.0003055463970197642, 0.0003236758953831213, 3.8725947488235845e-05, 0.0002617556952765932, 0.0002497398858772173, 0.00021327568185593973, 0.00017849405853486079, 0.00016670996416396337, 0.00017917458694688922, 0.0001688854731707097, 0.00014335841501801575, 0.00011831154679538734, 1.4955284522847799e-05, 0.00011830153281796784, 0.00010861934896898688, 9.355071847722495e-05, 9.85747469429683e-05, 9.545702706480818e-05, 8.366565564967666e-05, 9.074029480153331e-05, 1.0255362060044485e-05, 7.999754948999642e-05, 7.235136468274875e-05, 8.699753762474069e-06, 5.301676716391727e-06, -0.0003581137804966695, -0.0002759331032822115, -0.00022206322816978522, -0.00019654001932027236, -0.00012087754569751437, 0.0011701970915987858, -0.00010165119407395949, -9.913278114187866e-05, -8.330958369566031e-05, -8.208359891230577e-05, 0.0008171442737900025, 0.0006960073695111214, -6.239353346990606e-05, -4.8610880128509986e-05, -4.3187940844044916e-05, 0.00047126459931061236, 0.00042616463191448654, -3.6469027147839104e-05, -3.4642902240777666e-05, -3.325628551408782e-05, 0.0003479598366738019, -2.932860374587288e-05, -2.3579947102350213e-05, -2.2918098560005836e-05, 0.00022362172268361772, 0.00019349096554133413, 0.00018822820851309164, -1.6530128555049255e-05, -1.546975318148212e-05, -1.4612578188738507e-05, -1.3936067266443265e-05, 0.0001265081670884933, -1.1013528585992147e-05, -8.531953958153813e-06, -8.199616581327166e-06, -7.539907484034043e-06, -6.582313377900365e-06, 6.626899350541011e-05, -6.007308021530471e-06, -5.546666953308626e-06, -4.865330111777694e-06, 5.283760517053532e-05, 4.759823108474386e-05, 3.598121633195142e-05, 3.4201460969900204e-05, 3.215780800324016e-05, 2.163964616443211e-05, 1.9461886543398374e-05]
-------------
C: [3.772352157540807, 3.8119892651815053, 4.123513835258975, 4.196715713521227, 4.283346996816749, 4.350353608970601, 4.423190961411001, 4.428875879499288, 4.4487032056238975, 4.462689298255594, 4.477202002466696, 4.6157434209798645, 4.616264675935227, 4.743584648999243, 4.818971701985443, 4.866318909419485, 4.8714850471366935, 4.873962459961398, 4.877548767600618, 5.0003842840204085, 5.043773255871468, 5.069461378626704, 5.076282948345839, 5.118547750367904, 5.155393643926276, 5.166180981447394, 5.180591189155535, 5.22812801315803, 5.3545295172480465, 5.381812227388901, 5.536954052717381, 5.563718271692632, 5.5684399500737864, 5.625144510424434, 5.682773388856311, 5.742245706802978, 5.848636197554102, 6.008699921745794, 6.033387883614427, 6.035814792445254, 6.068768859055064, 6.18833642070777, 6.222438295757824, 6.2972211139412515, 6.3296594042990515, 6.336159219720588, 6.343956141277854, 6.483485354240309, 6.567250510652447, 6.6033072223094775, 6.653060574538771, 6.67737400050964, 6.744833135782748, 6.776164926034378, 6.793541274862642, 7.165641700753024, 7.356212063334059]
C Index: [26, 25, 23, 22, 45, 12, 15, 27, 41, 24, 4, 42, 5, 10, 1, 56, 44, 30, 11, 9, 2, 55, 40, 13, 53, 43, 14, 3, 6, 8, 52, 57, 34, 28, 31, 54, 35, 38, 33, 16, 19, 32, 18, 36, 39, 20, 7, 21, 17, 48, 51, 46, 49, 47, 50, 37, 29]
Global Index: [43, 42, 40, 39, 69, 21, 24, 44, 65, 41, 4, 66, 5, 19, 1, 88, 68, 51, 20, 16, 2, 87, 64, 22, 85, 67, 23, 3, 6, 13, 84, 89, 55, 49, 52, 86, 56, 62, 54, 29, 32, 53, 31, 57, 63, 33, 10, 34, 30, 76, 79, 74, 77, 75, 78, 61, 50]
H: [4.020992129656186, 4.085633877933555, 4.390073674446293, 4.469879885671267, 4.5819424568097045, 4.594317427994611, 4.920583555368685, 4.94633236257365, 5.0788313990578295, 5.130157904052811, 5.26817553831348, 5.375770231260942, 5.422576621537329, 5.531319249287959, 5.549534331578791, 5.653605085482082, 5.7431878983509, 5.768175464972838, 5.82803978017808, 5.8388636931659805, 5.840562819431125, 5.877492690762026, 5.887648920908851, 6.100537134999824, 6.1262255518125635, 6.242771166173761, 6.30630685911709, 6.3842023675907615, 6.447048374450501, 6.5076100283453515, 6.538764716265242, 6.570690883414315, 6.693877905300279, 6.703365394929593, 6.8370846739743705, 6.849937142783861, 6.8586478138116975, 6.921853043545758, 6.941510507625115, 7.006276261864057, 7.079769166967766, 7.102607381144924, 7.161651811475122, 7.221232192555294, 7.8399176596658435, 7.926154733968715, 8.0345104723342, 8.118395976262958]
H Index: [20, 19, 28, 10, 2, 13, 35, 25, 21, 18, 34, 27, 41, 3, 9, 23, 11, 42, 1, 26, 12, 6, 8, 36, 38, 15, 7, 33, 22, 14, 37, 44, 16, 24, 29, 45, 43, 32, 17, 5, 30, 4, 31, 46, 48, 47, 39, 40]
Global Index: [47, 46, 73, 25, 8, 28, 92, 70, 48, 45, 91, 72, 98, 9, 18, 59, 26, 99, 7, 71, 27, 14, 17, 93, 95, 36, 15, 90, 58, 35, 94, 101, 37, 60, 80, 102, 100, 83, 38, 12, 81, 11, 82, 103, 105, 104, 96, 97]
Dummy atom index = 24
Sum Hydrop. =0.03932309461312257 Individual = [0.0027527342296635206, 0.002645757927800374, 0.0017586946382528753, 0.0016345539812542625, 0.0016513610782473648, 0.00154433474463857, 0.001435848378697335, 0.0014277088564571252, 0.001270464371758065, 0.0013802402004799066, 0.0013603538342210422, 0.0011843610366902113, 0.0010744630091258259, 0.0009460130049844996, 0.0008773177691700941, 0.0009218506357479325, 0.0009171005088784187, 0.00011346063257961751, 0.0008274032629986672, 9.99863926448206e-05, 0.0007719570113602122, 0.000752379417270233, 0.0006782785314662236, 0.0007163396093268733, 0.0006266870676403687, 0.0006830179484930203, 0.0006732460943076357, 0.0006419908854181536, 0.0005135315394611764, 6.827926680528868e-05, 0.00042789888282190294, 0.00045896954077283774, 0.0004568075423618164, 5.3531693307447856e-05, 0.0003698389262677413, 0.0003839285289644006, 0.0003133136507111079, 3.647833291106479e-05, 0.0002869517938478289, 0.000259829636716658, 0.0002769766649342528, 0.000245762518785557, 0.00023752284868135048, 0.00020006050611227815, 2.6463303054795814e-05, 0.00021199080473898734, 2.608765583458202e-05, 0.00018295070872656626, 0.00015271759853163994, 0.0001622916292280681, 0.0001544146544056409, 0.0001367927442656295, 0.00014087443811224278, 0.00012392493746207265, 0.00013417713697577632, 1.1470478943330935e-05, 9.480208634314095e-06, -0.00019250407324306393, -0.00018045393995980773, -0.00013309135450636247, -0.00012288261587194033, -0.00010985562306047687, -0.0001085045399399644, -7.829829969472913e-05, -7.630794644839738e-05, -6.6838418589613e-05, -6.34943889378915e-05, -5.530890379676961e-05, -4.966692465219958e-05, 0.0005199550629000363, -4.2512161739718734e-05, 0.00045796129888826413, -3.761881624924886e-05, -3.439535563016246e-05, 0.00036802230469110006, -3.159723645100168e-05, -3.125707497313802e-05, -3.1204010350593126e-05, 0.0003299121216994972, 0.00032657841586081535, -2.4060519637083237e-05, 0.00025726159846824556, -2.0870533352218742e-05, 0.0002148654788974044, -1.8118020944900818e-05, -1.7014417424217865e-05, -1.6014577713366104e-05, 0.00017029875816752368, 0.0001649476463105634, -1.3292919666372019e-05, -1.3167399605560989e-05, -1.1519310129585723e-05, 0.00012475874958110112, 0.00012367673652707753, -1.0583078941082573e-05, -1.037707384938839e-05, 0.0001067023038599982, -9.03711761711078e-06, 9.690311168696789e-05, -8.32662016536033e-06, 8.606362250626417e-05, 4.635834654173177e-05, 4.2528067848337114e-05, 3.816078965169079e-05, 3.509024022768454e-05]
-------------
C: [3.891645666965696, 3.9474589748840603, 4.26037411336166, 4.293691669118961, 4.296652909483915, 4.31374246985694, 4.3630818781843335, 4.516255300096087, 4.575561176036395, 4.586898618449381, 4.595922827958516, 4.643282279717933, 4.682380494703713, 4.712869261498482, 4.749500453301301, 4.75651010712342, 4.885316483649131, 4.888045235588286, 4.943564017597466, 4.977351254551639, 4.980313840753022, 5.060374485568216, 5.063626556863277, 5.0806352416642016, 5.156943739043672, 5.1888859500107705, 5.197814383838539, 5.306054678565992, 5.364889609516218, 5.397144975005745, 5.4005052632605794, 5.455933630549918, 5.467631002475565, 5.469483407227899, 5.576515079946448, 5.610117550850532, 5.719734173946398, 5.961297876465502, 5.9796232945494205, 6.08157887345396, 6.138042465864498, 6.173204610649682, 6.189750097078098, 6.226090807493447, 6.288014323586321, 6.438825251593335, 6.4568257318627165, 6.533336318094772, 6.615890086051181, 6.635270408724297, 6.651790915293019, 6.691385765573826, 6.707925828942009, 6.782388196699035, 6.802391603527294, 7.115719754355902, 7.405572712141535]
C Index: [45, 42, 41, 55, 26, 56, 40, 23, 34, 25, 44, 43, 15, 52, 53, 31, 35, 12, 27, 30, 11, 22, 54, 57, 38, 33, 24, 32, 10, 14, 39, 4, 28, 36, 13, 5, 1, 9, 2, 3, 46, 8, 48, 6, 49, 51, 37, 50, 19, 47, 16, 20, 18, 21, 17, 7, 29]
Global Index: [69, 66, 65, 87, 43, 88, 64, 40, 55, 42, 68, 67, 24, 84, 85, 52, 56, 21, 44, 51, 20, 39, 86, 89, 62, 54, 41, 53, 19, 23, 63, 4, 49, 57, 22, 5, 1, 16, 2, 3, 74, 13, 76, 6, 77, 79, 61, 78, 32, 75, 29, 33, 31, 34, 30, 10, 50]
H: [4.0982614271347035, 4.190492916008478, 4.3928042308792685, 4.437893803434049, 4.47247289935205, 4.66356315028141, 4.743836609037965, 4.880886113052854, 5.094870494173761, 5.2423858804350845, 5.314796048339549, 5.475727256185202, 5.507117705525913, 5.530445844015577, 5.6884708927318774, 5.692820345538638, 5.707464968830321, 5.734397332901311, 5.874510239380755, 5.88191461141807, 5.884047805277285, 5.8984853639017985, 5.948470127166738, 5.966982996100706, 6.0540846341934955, 6.2320122482098865, 6.321932280788109, 6.3859083926054785, 6.3859173064775145, 6.422230649362986, 6.506130234128845, 6.55530691788121, 6.590433783402423, 6.690523359949867, 6.805472330008953, 6.828097549826962, 6.858753346147119, 6.964652312705832, 6.986796442801312, 7.016755054232319, 7.06667005748967, 7.137071792718227, 7.1419477712696615, 7.198681450299664, 7.804390257645602, 7.860789492078272, 8.099682488722735, 8.153759207965146]
H Index: [28, 25, 20, 34, 35, 23, 13, 19, 10, 27, 26, 21, 41, 2, 44, 22, 33, 36, 18, 24, 42, 45, 12, 38, 43, 11, 46, 37, 29, 3, 9, 30, 1, 6, 32, 8, 15, 31, 16, 14, 7, 48, 17, 47, 5, 4, 39, 40]
Global Index: [73, 70, 47, 91, 92, 59, 28, 46, 25, 72, 71, 48, 98, 8, 101, 58, 90, 93, 45, 60, 99, 102, 27, 95, 100, 26, 103, 94, 80, 9, 18, 81, 7, 14, 83, 17, 36, 82, 37, 35, 15, 105, 38, 104, 12, 11, 96, 97]
Dummy atom index = 25
Sum Hydrop. =0.038247913659832315 Individual = [0.0024431817204104136, 0.002310555254846872, 0.0015337436440162901, 0.0016343663430768295, 0.0016295337502564464, 0.0016019223402769622, 0.0013840359165608856, 0.0011874764037694632, 0.0012329204005561561, 0.0012190211762235425, 0.0012080699610819597, 0.001152190094075682, 0.0011080108114384045, 0.0009755210161407412, 0.0009404330982710827, 0.0009338640381257941, 0.00082100112657367, 0.0009020382130727632, 0.0008533229681066951, 0.00010231610939440474, 0.0007465981768528317, 0.0006891551862790861, 0.0007567822494477331, 0.0007440192275014053, 8.549643234851664e-05, 0.0006676847757486497, 0.0006617499302737063, 0.0005938622802281831, 0.0005082387694625119, 0.0005421578225518992, 6.701477543356835e-05, 0.0005112038779605193, 6.266401658449083e-05, 0.00045776573520469265, 0.0004531336158114619, 0.00039771012645912747, 0.00035641892382928125, 3.824911836524854e-05, 0.00030280190869567524, 0.0002734512185868328, 0.00023458042654650986, 3.094507245337264e-05, 0.00024541533558020427, 0.00021480919259908067, 0.00022244676087148586, 0.00019130650269205901, 2.3303245794045098e-05, 0.0001740540357836494, 0.00016026232974509944, 0.0001426751769385776, 0.0001403374739280482, 0.00014860865199971534, 0.00014617087157572182, 0.00013568200140827072, 0.00012071704810743251, 1.2057641795598528e-05, 9.023620822199335e-06, -0.00017818957572839786, -0.00016249001063354534, -0.00013272843676132433, -0.00012687668613355443, -0.0001225643923251629, -0.0001012453007519334, -9.343563783173895e-05, -8.146906110349785e-05, -6.57749422340704e-05, -5.6753853800193994e-05, -5.278955739409448e-05, -4.49424232266244e-05, 0.0004778043343637452, -4.254930830556441e-05, 0.00039855604137543443, -3.617213595081911e-05, -3.5646268609035714e-05, -3.4699043091650576e-05, -3.0162493139011844e-05, -2.993998360650232e-05, 0.00032775658258319556, 0.00032305857320583516, -2.8012177201793985e-05, 0.0003016706971853448, 0.00027650651351056663, -2.1096289979244775e-05, 0.00021153420921209105, 0.00019842488576601557, -1.808697627369691e-05, -1.744195993048029e-05, 0.00017594804942598456, -1.5268662494422545e-05, -1.474163288004704e-05, 0.00014631994847286314, -1.1889279513426347e-05, 0.00012751340062945937, -1.127238688558602e-05, -1.0139687003265397e-05, -9.917620266847331e-06, -9.624908644343948e-06, 0.00010044888130744206, 9.362029801994492e-05, -8.492315294737636e-06, 8.802646972501687e-05, 4.803494439334046e-05, 4.540079063667463e-05, 3.575308371405833e-05, 3.3871020758410834e-05]
-------------
C: [3.5013014055058496, 3.530432037189426, 3.6720415825616928, 3.672379250186294, 3.8353267652661804, 3.835504625493906, 3.865188396734315, 3.9465874447186633, 4.099093622013386, 4.262144822069069, 4.352149923325434, 4.490898059381125, 4.584953859596544, 4.637948630184551, 4.745727755941799, 4.824494893147431, 4.8735825535424055, 5.202983915416722, 5.232802270709737, 5.321028601298439, 5.39716853588107, 5.453532185881041, 5.465417786172997, 5.513953875012913, 5.59940391197196, 5.609355738969819, 5.676153077491775, 5.696113942005997, 5.708167247347788, 5.730565254043085, 5.7948172735354335, 5.815729267560453, 5.825012734395604, 5.881072651024827, 5.983399003110299, 5.993333581646257, 6.014692274038972, 6.027784026377906, 6.076351299638412, 6.080669917817615, 6.09417797623478, 6.096092390920768, 6.118956154394938, 6.191958883836426, 6.194636942664754, 6.210668911890763, 6.296862158863119, 6.308678104646918, 6.328047349612391, 6.336463804774345, 6.370722983561363, 6.549716893108247, 6.56586721939355, 6.566255592092628, 6.689096516868333, 6.878697939227785, 6.94511842812357]
C Index: [21, 17, 18, 20, 47, 19, 16, 50, 51, 29, 49, 48, 6, 46, 3, 7, 2, 1, 13, 5, 14, 4, 36, 10, 32, 24, 37, 57, 33, 54, 22, 27, 11, 12, 8, 35, 53, 15, 43, 52, 44, 31, 25, 23, 9, 34, 56, 26, 55, 40, 41, 42, 28, 45, 39, 38, 30]
Global Index: [34, 30, 31, 33, 75, 32, 29, 78, 79, 50, 77, 76, 6, 74, 3, 10, 2, 1, 22, 5, 23, 4, 57, 19, 53, 41, 61, 89, 54, 86, 39, 44, 20, 21, 13, 56, 85, 24, 67, 84, 68, 52, 42, 40, 16, 55, 88, 43, 87, 64, 65, 66, 49, 69, 63, 62, 51]
H: [3.9354982117920634, 4.1996018147640655, 4.205029670360949, 4.2413845763327735, 4.453160628672533, 4.492550071395123, 4.888730046044278, 4.957015383765397, 4.965527430087487, 5.05360436555896, 5.108150872737011, 5.173105758351762, 5.294682122215921, 5.509649978741209, 5.577635094309227, 5.588939640496078, 5.688974870226109, 5.7800454508150905, 5.797496354553447, 5.856314510500622, 5.966397297704327, 6.042705775362918, 6.11728314197275, 6.215079952415779, 6.246219684646063, 6.350385293063982, 6.396436176018426, 6.419268777975339, 6.496840934092192, 6.561224941279413, 6.63255594704814, 6.747230771022124, 6.80132898043739, 6.818486797736971, 6.868564229883359, 6.870193843139045, 6.883596701398892, 7.022281993383068, 7.0498596407740655, 7.05821802687621, 7.096407816509979, 7.223562522076319, 7.449569247510397, 7.452123589368992, 7.518023115970267, 7.573298620260433, 7.732359790706369, 7.798315240742185]
H Index: [17, 14, 16, 31, 15, 32, 30, 1, 40, 39, 29, 3, 11, 4, 12, 5, 18, 24, 36, 33, 22, 21, 2, 26, 27, 47, 10, 48, 7, 19, 13, 8, 23, 35, 34, 20, 6, 25, 28, 9, 37, 46, 43, 38, 42, 45, 44, 41]
Global Index: [38, 35, 37, 82, 36, 83, 81, 7, 97, 96, 80, 9, 26, 11, 27, 12, 45, 60, 93, 90, 58, 48, 8, 71, 72, 104, 25, 105, 15, 46, 28, 17, 59, 92, 91, 47, 14, 70, 73, 18, 94, 103, 100, 95, 99, 102, 101, 98]
Dummy atom index = 26
Sum Hydrop. =0.04528712609787862 Individual = [0.0036097749695286454, 0.003182457347391438, 0.003043186806741574, 0.003042159394553002, 0.0023461106653489424, 0.0025842677916837024, 0.002277087671879102, 0.002312569851213522, 0.001985465148813519, 0.00020919640868146078, 0.0015415631240642972, 0.001341849359113837, 0.0011086375474936073, 0.001051415189399156, 0.001039998306363467, 0.00011921439300765043, 0.0009151789006836283, 0.0005975614058850682, 0.0006389970570871352, 0.0005310267326769439, 0.0005421450489895147, 0.000512432981008758, 0.00045963062561604095, 0.0004378546869100164, 0.0004428797141733189, 0.0004384941104571102, 5.08695905424766e-05, 0.000402054711482321, 0.00039723771198215936, 0.0003884392805359778, 0.0003306378579750825, 0.00035672773794698817, 0.0003208033218721898, 0.0003341631906970414, 3.7413042893312304e-05, 0.00027110532097167686, 0.0002653762661695469, 0.00028856434476694643, 0.00027488444790910253, 0.0002484324673609303, 0.0002700275911831085, 0.000244630418176084, 0.00026341901181159205, 0.0002222676044678521, 3.0288904112297055e-05, 0.00024033486163507265, 0.00022048726998282186, 0.00021789733574900755, 0.00021371744026465791, 0.00019236164355273828, 0.00018588310004315575, 0.0001712261549827861, 2.0895862394239292e-05, 0.0001684175862024472, 1.847321546576623e-05, 1.528268438522872e-05, 1.430057804354323e-05, -0.00020968601204313694, -0.00016101662622007654, -0.00016014501884365729, -0.00015442752100092776, -0.00012495439293323687, -0.00012012818385667213, -8.083252299217535e-05, -7.549708597095998e-05, 0.000821220445380532, 0.0007519836985988265, -6.490720082193033e-05, -6.08251700573907e-05, -5.386211314510629e-05, 0.0004765959338914877, -4.0588076798183046e-05, 0.0004402661240140217, -3.631150280076719e-05, -3.315070528759035e-05, -3.257721404488687e-05, -3.07163452772859e-05, -2.7514472670402348e-05, -2.5492993953716953e-05, -2.3660956885146718e-05, -2.1456539923630943e-05, -2.0798684889006605e-05, 0.00020560024368418737, -1.78977188619507e-05, 0.00019191455249948535, 0.0001775900985837826, -1.5178569043043034e-05, -1.4133579569894776e-05, 0.00013825340105461228, -1.1938643149384246e-05, -1.1735549396559839e-05, -1.1162335541625546e-05, -1.1144160065183452e-05, 0.00012062931251982519, -9.571859095790785e-06, -9.311496337796158e-06, 0.00010130147633141165, 9.750573486172924e-05, 8.586329940612191e-05, 6.849424754990732e-05, 6.831951308710082e-05, 6.396243103421052e-05, 6.052281440872588e-05, 5.1622582452235424e-05, 4.832764567490319e-05]
-------------
C: [3.4796311371875035, 3.5805214268931493, 3.603825614423565, 3.741366613164851, 3.820838817106077, 3.857136939729644, 3.950658505526299, 4.027942259302018, 4.2560661605845205, 4.346783840768251, 4.445381869551365, 4.486763484014948, 4.605652262761562, 4.6530787547879475, 4.750041190052267, 4.770214200046303, 4.806863985153712, 5.050376845436357, 5.057649572179014, 5.225285398175768, 5.243359366733879, 5.338599529015096, 5.341144366474838, 5.578084105380901, 5.6053614528216125, 5.638500644026851, 5.670643180756298, 5.672231571929181, 5.681567474598783, 5.7254286074502945, 5.780883016744863, 5.802020257985959, 5.817635356057809, 5.836784473857735, 5.8762356387485735, 5.880288038505946, 5.911329573619183, 6.0468100995614975, 6.056742733172983, 6.097223664090186, 6.148664840208025, 6.202972251421881, 6.210197291744238, 6.216638203533567, 6.220470165890231, 6.240668129884075, 6.28194932425551, 6.289230893257616, 6.317717705212977, 6.431434549055179, 6.44785812403921, 6.460150958390574, 6.629479707901782, 6.635510896089708, 6.704149158878787, 6.99333655957589, 7.018061372682304]
C Index: [50, 47, 49, 51, 46, 48, 17, 21, 20, 29, 18, 36, 32, 19, 37, 16, 33, 54, 35, 57, 31, 34, 52, 6, 14, 43, 53, 3, 13, 55, 40, 7, 39, 2, 44, 56, 11, 1, 10, 42, 38, 5, 24, 27, 15, 41, 4, 12, 45, 28, 22, 23, 25, 26, 8, 9, 30]
Global Index: [78, 75, 77, 79, 74, 76, 30, 34, 33, 50, 31, 57, 53, 32, 61, 29, 54, 86, 56, 89, 52, 55, 84, 6, 23, 67, 85, 3, 22, 87, 64, 10, 63, 2, 68, 88, 20, 1, 19, 66, 62, 5, 41, 44, 24, 65, 4, 21, 69, 49, 39, 40, 42, 43, 13, 16, 51]
H: [3.8995471906911643, 4.092505197696138, 4.279134961074766, 4.311079936868039, 4.486359141299066, 4.657209212681959, 4.80320073404829, 4.952021669242113, 5.0231363362967825, 5.110140521157314, 5.142146191827621, 5.156589470926534, 5.282134532064945, 5.410889336988358, 5.415208133251863, 5.538997789127814, 5.690530384010239, 5.725552080192297, 5.821290939421143, 5.834361258009365, 6.00363612273523, 6.116418646819883, 6.131799449503692, 6.254470600147304, 6.324593970716175, 6.368342445734053, 6.379918000388263, 6.457648389028069, 6.502509786304606, 6.512025140665988, 6.561771600808903, 6.716172488666922, 6.724979012585273, 6.736989797735889, 6.847793433942866, 6.856587168200941, 6.871937195048339, 6.955816694127135, 6.998150494595443, 7.083806730433915, 7.094216993183916, 7.237213664316517, 7.32177523250363, 7.581795922570167, 7.589603813611321, 7.607288738593868, 7.832677769511146, 7.8573359862020435]
H Index: [31, 30, 17, 32, 29, 16, 24, 14, 40, 33, 22, 39, 15, 36, 47, 48, 12, 26, 11, 1, 23, 3, 27, 34, 46, 18, 21, 4, 35, 25, 5, 43, 45, 13, 10, 2, 28, 37, 44, 19, 20, 7, 38, 8, 6, 42, 9, 41]
Global Index: [82, 81, 38, 83, 80, 37, 60, 35, 97, 90, 58, 96, 36, 93, 104, 105, 27, 71, 26, 7, 59, 9, 72, 91, 103, 45, 48, 11, 92, 70, 12, 100, 102, 28, 25, 8, 73, 94, 101, 46, 47, 15, 95, 17, 14, 99, 18, 98]
Dummy atom index = 27
Sum Hydrop. =0.04481783608959679 Individual = [0.003688853493518212, 0.003026976478432725, 0.003258025138804362, 0.0028393644088690714, 0.002380348413531764, 0.0025289644252614618, 0.0020905499823089483, 0.0021318807712157844, 0.001697031723608048, 0.0001922188461134294, 0.0014043365306064808, 0.0012230187678071948, 0.0011963731172680496, 0.0011409578008145945, 0.0001284291251789979, 0.0009211535702071953, 0.0009783212909375276, 0.000766876118624271, 0.0006910356353402767, 0.0006438184145777973, 0.0005739151703570781, 0.0005748462366788324, 0.0005204514452194289, 0.0004106564019727051, 0.0004402490840085691, 0.00042589867912567195, 0.0003743524691700352, 0.00041177230863969705, 0.00040794593157803016, 0.00039043968914045045, 0.0003352772993089714, 4.485334327531674e-05, 4.415839389340858e-05, 0.00034929528235416886, 0.00033578345761913934, 0.0003344254822049557, 0.00029427402518030795, 0.0002569883789388397, 0.00025444844253914373, 0.00026920642257442486, 3.171385168102391e-05, 0.00021983312018004604, 0.0002404482351302429, 0.0002389045061059456, 0.00023799078482257657, 0.0002117005625453656, 0.00022379999987599038, 0.000222176303437245, 0.00021593650677707897, 2.3902518695711405e-05, 0.00017208401919884298, 0.0001699815678749562, 0.0001580991569279927, 0.0001571485008348004, 1.819722715434983e-05, 1.3627391221173094e-05, 1.3294587726056896e-05, -0.00021736158392007482, -0.00017921823356480192, -0.00014870648767322865, -0.0001440311370904286, -0.0001208741959170162, -0.00010189065517480101, -8.805034109525622e-05, -7.587503977691882e-05, 0.0007752477654236463, -6.477818670128003e-05, -6.273774442927169e-05, 0.0006783948824915602, -5.454221073545839e-05, -4.795293964311454e-05, 0.0005238004958047956, 0.00046281213821439533, -3.6255063664945126e-05, -3.5007326308069505e-05, -3.181120236699379e-05, -3.139812522291185e-05, -2.6508708989882717e-05, -2.3681420511764657e-05, -2.3319968095426254e-05, -2.0627782716691663e-05, 0.00021097191939053325, -1.8407662113166044e-05, -1.8195811722747325e-05, 0.00018468850013172514, -1.6096464579797423e-05, -1.5944027412349976e-05, 0.00016642544162313562, 0.00014261469072868993, 0.0001413642650767576, -1.2732014459850795e-05, -1.1396610754055388e-05, -1.129683134742698e-05, -1.1124748797707796e-05, 0.00011222461092597398, 0.00010757287418394155, -9.00070324332193e-06, -8.90748958876527e-06, 8.469913148253345e-05, 7.783130898737037e-05, 6.0010712581398276e-05, 5.954397994616376e-05, 5.8500205864610846e-05, 4.669519377558563e-05, 4.5557853586730715e-05]
-------------
C: [3.0056462139195945, 3.1124027754097603, 3.2619186444420416, 3.403945558304476, 3.5201280581200116, 3.5959054465481657, 3.6153480277221597, 3.6322279314737993, 3.8609673470863437, 3.953316255985807, 4.152058642292564, 4.452335618390611, 4.4914623933629345, 4.519832024453343, 4.555376481188037, 4.65007322871778, 4.699053057542519, 4.710575989870544, 4.915434970016663, 4.9741158982623705, 4.994572059759243, 5.245653650316996, 5.295181823904614, 5.353814893023948, 5.355972680789456, 5.48961428658988, 5.504150551655013, 5.530930126509714, 5.6129405647904305, 5.707031249817825, 5.783898463840385, 5.824198258831224, 5.975845197865506, 6.160913998752016, 6.221848720825292, 6.259249023045225, 6.2694310811607625, 6.4510532763925, 6.561578918279063, 6.573297701974015, 6.620157858968621, 6.705563193044827, 6.743179828071239, 6.786098081677959, 6.810601961819566, 6.820691675393325, 6.864892278198432, 6.904218203276985, 6.932299988909362, 7.089470380514968, 7.116205739576649, 7.154352613800081, 7.18121448933342, 7.229917072886053, 7.2428156110421105, 7.489336970558138, 7.8383662595961]
C Index: [49, 46, 50, 48, 36, 47, 32, 51, 37, 33, 35, 31, 54, 34, 17, 29, 52, 21, 57, 20, 39, 55, 18, 43, 40, 53, 38, 19, 56, 16, 42, 44, 14, 11, 45, 13, 41, 28, 15, 6, 3, 10, 27, 7, 2, 12, 23, 24, 1, 26, 5, 4, 22, 30, 25, 8, 9]
Global Index: [77, 74, 78, 76, 57, 75, 53, 79, 61, 54, 56, 52, 86, 55, 30, 50, 84, 34, 89, 33, 63, 87, 31, 67, 64, 85, 62, 32, 88, 29, 66, 68, 23, 20, 69, 22, 65, 49, 24, 6, 3, 19, 44, 10, 2, 21, 40, 41, 1, 43, 5, 4, 39, 51, 42, 13, 16]
H: [3.4055126079995226, 3.7978406312668205, 3.8383002969590376, 4.020153150166235, 4.357500923710739, 4.39151889466516, 4.4643759525881945, 4.507944640577447, 4.70680160746516, 4.809765675702523, 5.190807533824398, 5.2627864076707045, 5.2732660322705955, 5.275340509226407, 5.379281962406149, 5.444438709338566, 5.4608719339033405, 5.749750463818477, 5.779998427570481, 5.92417365104925, 5.971118727459497, 6.0595266994708625, 6.12376505678816, 6.162081697357376, 6.179212622090908, 6.330363720281875, 6.337099711783006, 6.4607428077165014, 6.745927739239016, 6.837142727101917, 6.84780361106771, 6.9575691061154075, 6.984501748791482, 7.075318433769591, 7.123702403821469, 7.326843735154817, 7.407439103632567, 7.419312808096895, 7.446896403902317, 7.541713782507, 7.655352516456157, 7.701361104260379, 7.824385747930051, 8.03402645770124, 8.041252203863491, 8.355852353150892, 8.452344985007144, 8.653510291613912]
H Index: [30, 31, 24, 29, 32, 22, 33, 47, 48, 17, 36, 16, 40, 23, 26, 39, 46, 34, 14, 45, 12, 43, 25, 15, 27, 35, 44, 11, 1, 28, 21, 37, 13, 3, 18, 38, 10, 4, 20, 5, 2, 19, 42, 7, 41, 6, 8, 9]
Global Index: [81, 82, 60, 80, 83, 58, 90, 104, 105, 38, 93, 37, 97, 59, 71, 96, 103, 91, 35, 102, 27, 100, 70, 36, 72, 92, 101, 26, 7, 73, 48, 94, 28, 9, 45, 95, 25, 11, 47, 12, 8, 46, 99, 15, 98, 14, 17, 18]
Dummy atom index = 28
Sum Hydrop. =0.05646900258183563 Individual = [0.00592571068508238, 0.00483404171095005, 0.0045860917746631475, 0.003978883619325505, 0.003215418846957273, 0.0029807657773396777, 0.003220700275821821, 0.0031667914332100286, 0.00031245205709521794, 0.0022970612409135894, 0.001709202767598877, 0.001265857892137114, 0.001341092321553122, 0.0013035806392883743, 0.001141917886178705, 0.00014193158681024436, 0.0009890925511250699, 0.0010772062141383009, 0.0008776669113025598, 0.0008276465748691668, 0.00010056922812642479, 0.0006308376057414534, 0.0006003544889525321, 0.0005661659462895377, 0.000512790963980363, 0.00044864264442721186, 6.04168376748441e-05, 0.0004742677298140491, 0.0004369249996226585, 0.00036097536517059085, 0.00036826531966451377, 0.0003537193707469937, 0.00030394808740641393, 0.00022927610283844733, 0.00023766292748825544, 0.00022893842857123098, 0.00020569816670236592, 2.3438151737375413e-05, 0.00016920706494595852, 0.00015179687270356414, 0.00015957982394034537, 0.00013299050999470536, 0.00014110753954823193, 1.676545141378993e-05, 0.0001319073995385477, 0.0001305831833738542, 0.0001134030953865837, 0.00012011911990645993, 0.00010601080007142594, 9.980634306510149e-05, 8.820249280608467e-05, 9.35362915381648e-05, 8.265096301837432e-05, 1.0756404174029767e-05, 8.56172266264934e-05, 8.29855511102842e-06, 5.853572318473455e-06, -0.0003562372120237395, -0.0002406320038668509, -0.00023109043927301302, -0.00019266564798171534, -0.00013749788279776625, -0.00013289914711433267, -0.0001235608182449309, 0.0012977332547127415, 0.0010637092852436405, -8.747418901499674e-05, -5.975793044039055e-05, -5.560777531051893e-05, 0.0006036852661602931, -5.491403341651499e-05, -4.949281366043977e-05, 0.0005087111155783193, 0.0005004196657974612, -3.41703728964671e-05, -3.315226417796581e-05, 0.00031486543618131774, -2.7384871213281602e-05, 0.0002750058341157227, -2.3508084566087625e-05, -2.2624372298920702e-05, -2.224009677514861e-05, -1.9120206783139212e-05, 0.00020834998796303656, -1.678300278298827e-05, -1.2618723507547234e-05, -1.1518641417016133e-05, -1.139649476991514e-05, 0.0001120281193897545, -9.940404301862095e-06, -9.077429057694323e-06, -8.648682861848192e-06, 7.743781883674561e-05, -6.512154404812177e-06, 7.059830980558196e-05, -6.260205668479895e-06, 6.246492688400267e-05, -5.082264481837103e-06, -4.853734160008184e-06, 4.70840011016893e-05, 3.817926450297602e-05, 3.790438512929133e-05, 2.767326151478903e-05, 2.5127780498711375e-05, 2.054892689309697e-05]
-------------
C: [3.6694293588520934, 3.670013480856729, 3.676210957228894, 3.685184390992321, 3.9131614744963845, 3.928435680896013, 3.964267170943375, 3.981962943229955, 4.190878517401544, 4.210292829662286, 4.213173081165903, 4.244292312580982, 4.252865052811596, 4.341007289988602, 4.410734787887974, 4.71647810161139, 4.789061354258001, 4.796442198216114, 4.923029957372843, 4.999000487874103, 5.021810405002133, 5.130565418015968, 5.133611936780122, 5.138740222999405, 5.177656154655489, 5.225279151782489, 5.243696489091518, 5.3106229357987305, 5.413848586553299, 5.565185197383254, 5.623458007674386, 5.72888566656048, 5.734464933840434, 5.741118359108396, 5.79027243907379, 5.877816119584833, 6.029207515091676, 6.086506892636223, 6.095167209854226, 6.320497113181497, 6.3375858926569695, 6.364970435067871, 6.366662449716956, 6.473225609913244, 6.473961578439786, 6.50093940835806, 6.518974326093517, 6.6154611569283235, 6.651634142529385, 6.694069824132174, 6.698073580972915, 6.73172144305397, 6.788417742931481, 6.7907911274246455, 6.839325966097821, 7.185036268005688, 7.449685521376093]
C Index: [19, 16, 6, 2, 18, 3, 20, 5, 21, 1, 4, 17, 7, 24, 22, 27, 9, 25, 10, 13, 47, 23, 51, 26, 8, 12, 29, 50, 14, 48, 15, 49, 44, 11, 41, 46, 43, 45, 30, 57, 53, 42, 40, 36, 33, 56, 54, 32, 31, 55, 28, 52, 34, 35, 37, 38, 39]
Global Index: [32, 29, 6, 2, 31, 3, 33, 5, 34, 1, 4, 30, 10, 41, 39, 44, 16, 42, 19, 22, 75, 40, 79, 43, 13, 21, 50, 78, 23, 76, 24, 77, 68, 20, 65, 74, 67, 69, 51, 89, 85, 66, 64, 57, 54, 88, 86, 53, 52, 87, 49, 84, 55, 56, 61, 62, 63]
H: [4.006803172877311, 4.031797298539784, 4.399836262861401, 4.421742450245983, 4.473688703747328, 4.480967214060454, 4.828855847759288, 4.866000818586505, 4.935531615391494, 5.0683744772524015, 5.104941836203905, 5.157331717732865, 5.24585742405258, 5.2949491405879305, 5.380376448432614, 5.543844402154317, 5.5983684405167615, 5.651358153076201, 5.787953583757059, 5.825920699453129, 5.838125447973906, 5.8476463522250075, 5.903495394680775, 5.966833726603268, 6.012085752387804, 6.014794398179524, 6.191213656638268, 6.280969593025955, 6.33802129487911, 6.443886290898961, 6.497556481669171, 6.678668262571066, 6.693177518016672, 6.808407335517896, 6.83297413951792, 6.900032721807384, 6.912872352460472, 6.921073853738939, 7.12921399618876, 7.213010753461972, 7.35346308766451, 7.465602239380981, 7.506414662760747, 7.594495926378778, 7.806146926677282, 7.995334985624629, 8.119660062451267, 8.221354690989747]
H Index: [15, 3, 14, 1, 16, 18, 17, 2, 5, 4, 21, 11, 19, 32, 8, 10, 31, 9, 20, 7, 27, 12, 39, 6, 29, 40, 13, 30, 26, 28, 36, 22, 42, 35, 33, 25, 41, 24, 34, 23, 37, 38, 48, 47, 43, 44, 46, 45]
Global Index: [36, 9, 35, 7, 37, 45, 38, 8, 12, 11, 48, 26, 46, 83, 17, 25, 82, 18, 47, 15, 72, 27, 96, 14, 80, 97, 28, 81, 71, 73, 93, 58, 99, 92, 90, 70, 98, 60, 91, 59, 94, 95, 105, 104, 100, 101, 103, 102]
Dummy atom index = 29
Sum Hydrop. =0.04739963197019013 Individual = [0.0030511466834338696, 0.0027678537640656114, 0.0027507531009734417, 0.003003452467876218, 0.0023911761696900203, 0.0023549303689374182, 0.002272043551919222, 0.002026120220853391, 0.0018113425727137344, 0.001612511427772076, 0.0017714063151192865, 0.0015586084029138873, 0.00021114673839247382, 0.001558836252070856, 0.0013196293456638512, 0.0010708671480344912, 0.0001235143116228477, 0.000988570461557963, 0.0007906149085338679, 0.0008073050741419889, 0.0007162509255864459, 0.0006424413620300535, 0.0007056294086848066, 0.000702020002057868, 8.374380790778389e-05, 0.0006438224361333752, 7.839200131485527e-05, 0.0005911555517943716, 0.0005331770434196405, 0.00045829676014250495, 0.0004323537469768199, 0.00038909224649253955, 0.0003869274414812248, 0.0003488781100016665, 0.0003321439722338615, 0.0003043032830525255, 0.00028815386890216737, 0.0002721069607209808, 3.3456670286210955e-05, 0.00021533716442373685, 0.00019214591793761008, 0.0002059702383887795, 0.00018663941915247645, 0.00016777358387424327, 0.00018470141368706521, 0.00017978518314576235, 0.00017657183548488387, 0.00016033108567027927, 0.00014035947674635358, 0.00014821031249788758, 1.8308122360710317e-05, 0.00012955681648307607, 0.00013486636194686485, 0.0001221255773485166, 1.589639606729408e-05, 1.1250157394695626e-05, 8.63421558234774e-06, -0.000195254975280825, -0.00019043523144177653, -0.00013179836014597955, -0.0001289425546794787, -0.0001224154685477057, -0.00012152770102916163, -8.582013006388927e-05, -8.269082264917968e-05, 0.0008462267895939107, 0.0007409584379792918, -6.511582496284167e-05, -6.179223597701849e-05, -5.6557171913667425e-05, -5.38477328913227e-05, 0.0005423668206819472, -4.198301117880135e-05, -3.9755214001509664e-05, 0.0004136254519106611, -3.288957897472516e-05, 0.00034737271579556104, -3.1280158878197814e-05, -3.098375672781507e-05, 0.00032144408749922243, 0.00030171573077969287, -2.6285663867736354e-05, 0.00028758676721074344, -2.197478778086576e-05, -2.0088346078706638e-05, -1.8974351534831357e-05, -1.706830358506585e-05, -1.617639306405856e-05, -1.3496645597271127e-05, 0.00014593210712509114, -1.1854435571151223e-05, -1.1566758102242495e-05, -1.0816542995826753e-05, 0.00011714900358074059, -1.0591328381840919e-05, -8.601145969723809e-06, -7.909769882644135e-06, 7.54036682389261e-05, 6.740483643216902e-05, 6.470926231335892e-05, 5.925339544725317e-05, 4.795063696588997e-05, 3.968542636646921e-05, 3.504591116345003e-05, 3.1657159162826506e-05]
-------------
C: [4.2828896797248, 4.290076687622204, 4.3769589320334985, 4.3913848751554365, 4.419125485850293, 4.426100236953127, 4.618331087726549, 4.642114510600225, 4.648413427624913, 4.679404885633136, 4.768122938673597, 4.804673346962385, 4.866274372992906, 4.893467368626054, 4.9009742151260465, 4.986630233393682, 5.00690017106928, 5.021895704570085, 5.044754555293942, 5.047048783391617, 5.063295775058485, 5.121035456212398, 5.1453424820414035, 5.245401275298395, 5.264588976797256, 5.280908562154748, 5.317445641802029, 5.340100107794259, 5.351377066096705, 5.4057365507497455, 5.440625453952786, 5.466907927958119, 5.492076545434386, 5.501904389947769, 5.516787703654035, 5.609664699331082, 5.623436219510384, 5.639346207913619, 5.6429966025315, 5.6545100570575775, 5.655382284174164, 5.707426020207046, 5.726272231509946, 5.727702611851408, 5.758815365536582, 5.8115932333898845, 5.826892445370489, 5.83188237626761, 5.843343724176976, 5.905027525841555, 5.926259968868536, 5.932076159256273, 5.962123807036445, 6.01411496116893, 6.333588252375655, 6.412248257218457, 6.526766679717792]
C Index: [20, 19, 17, 16, 21, 18, 47, 51, 6, 2, 50, 3, 48, 24, 5, 49, 27, 1, 22, 4, 46, 29, 7, 25, 23, 13, 44, 10, 26, 43, 14, 41, 36, 12, 33, 9, 32, 40, 45, 11, 15, 31, 42, 57, 54, 35, 8, 34, 53, 52, 37, 56, 55, 30, 38, 28, 39]
Global Index: [33, 32, 30, 29, 34, 31, 75, 79, 6, 2, 78, 3, 76, 41, 5, 77, 44, 1, 39, 4, 74, 50, 10, 42, 40, 22, 68, 19, 43, 67, 23, 65, 57, 21, 54, 16, 53, 64, 69, 20, 24, 52, 66, 89, 86, 56, 13, 55, 85, 84, 61, 88, 87, 51, 62, 49, 63]
H: [4.692676607237095, 4.703698257355961, 4.913318495529562, 4.92386254378247, 4.943570620461154, 4.990485280269496, 5.125467549946885, 5.153528341228744, 5.198035789640271, 5.308426141535572, 5.315025094493789, 5.504497829828843, 5.518318572971955, 5.537816617255786, 5.591922614142505, 5.685529152366987, 5.7139885524527765, 5.7834574871393185, 5.785074819461219, 5.822607299405561, 5.84637259868055, 5.884620462850598, 5.891696692411411, 5.895183427718394, 5.91890189728951, 5.963478445251779, 5.9904089733969625, 6.042073492717089, 6.086597603596723, 6.142260144785306, 6.22129235770884, 6.237544153023861, 6.309761875350912, 6.33603044156258, 6.384897815276884, 6.439739769619161, 6.489196521634265, 6.6196484765721015, 6.619764891671307, 6.6444560099196694, 6.683820324624059, 6.834604038822306, 6.967554862715254, 7.077980034283671, 7.149133090412221, 7.1937134300609955, 7.197879087670487, 7.311714141234798]
H Index: [16, 15, 17, 14, 32, 3, 18, 31, 1, 29, 21, 30, 11, 27, 2, 26, 19, 22, 12, 39, 5, 20, 10, 40, 4, 24, 36, 33, 28, 13, 25, 8, 23, 35, 34, 9, 7, 48, 6, 42, 47, 41, 43, 37, 44, 46, 38, 45]
Global Index: [37, 36, 38, 35, 83, 9, 45, 82, 7, 80, 48, 81, 26, 72, 8, 71, 46, 58, 27, 96, 12, 47, 25, 97, 11, 60, 93, 90, 73, 28, 70, 17, 59, 92, 91, 18, 15, 105, 14, 99, 104, 98, 100, 94, 101, 103, 95, 102]
Dummy atom index = 30
Sum Hydrop. =0.03653489976330844 Individual = [0.0016521164466016915, 0.001640285239070002, 0.0013649622250280957, 0.0013454127067583743, 0.0014416976672030836, 0.0014316771706657946, 0.00107224501852464, 0.0011535363720031758, 0.0010404697133992067, 0.0011113127286302587, 0.0010169662207606333, 0.000980466788066818, 0.0009218916925953447, 0.0008971604776916647, 0.0008082462283634769, 0.0008173536670394595, 0.0008009527435487552, 0.0007161898322976007, 0.0007000042524850497, 0.0007694325816017703, 0.0006871449022167321, 8.862224789378428e-05, 8.64940741933981e-05, 0.0006309968334856437, 0.0005618595954384731, 0.0006089849516221051, 0.0005871359989681347, 0.0005209952150276762, 0.0005675478446087718, 0.0005375197851089994, 0.0005190896818445274, 0.0004589462208717871, 0.0004475393289894703, 0.0004882354307761815, 0.0004810226776737198, 5.436680078439264e-05, 0.00043236316727379096, 0.0003862538351617101, 0.00042398815437535867, 0.00038044092470839325, 0.0004187691591995827, 0.0003608328909093434, 0.0003901104437240531, 0.00038955283630476826, 0.00037761937884289677, 0.00032513735763098285, 4.375150192056856e-05, 0.0003510117656630485, 0.0003149762506182377, 0.00029613441010683514, 3.961304243004673e-05, 0.0003175470385659976, 0.0003081474223774856, 3.6281335156938004e-05, 2.635953673202394e-05, 2.4365547090151113e-05, 2.172908547333578e-05, -9.834019408829348e-05, -9.726227401720285e-05, -7.88692128754069e-05, -7.804198093998109e-05, -7.651898059443255e-05, -7.301202565600922e-05, -6.379289961889376e-05, -6.202770261576272e-05, -5.9327542184245474e-05, -5.3126895219530016e-05, -5.277746753361019e-05, -4.366782727669963e-05, -4.30684568651385e-05, -4.22368399837435e-05, -4.0012296874094544e-05, -3.643683780498232e-05, -3.5414484049919854e-05, -3.3037786627809564e-05, -3.298439673389086e-05, 0.0003485256095128858, 0.00034034044082731206, -2.9859079964950223e-05, -2.9648536067665204e-05, 0.0003241270550567195, 0.00031652971220062315, -2.7594900678078777e-05, -2.686167284917156e-05, -2.5509117828269974e-05, -2.4398260512039074e-05, -2.3077296484969174e-05, -2.1323656391991344e-05, 0.00023016003213298755, -1.9518203979667238e-05, -1.9012164312871523e-05, -1.81054251895097e-05, 0.00018802581030432757, 0.00017895287271319936, 0.00015706669676650076, 0.0001570484128956947, 0.00015321819276088874, 0.00014730403074082873, 0.00012668642934871604, 0.00011091500077254661, 9.931920712713806e-05, 9.249789814157631e-05, 8.846487510986348e-05, 8.809712721737755e-05, 7.861832939386461e-05]
-------------
C: [4.288352395188776, 4.327263092972152, 4.329489893925031, 4.34888850037222, 4.389450620565078, 4.409011717826944, 4.519199018076577, 4.577959656360263, 4.634840181815878, 4.722448702821624, 4.785936354174619, 4.792793946621011, 4.840907733520327, 4.847048315394162, 4.892758797314103, 4.908424599826869, 5.007001154062532, 5.034362338147037, 5.046259482694831, 5.066198597527854, 5.082409129971144, 5.086048946837844, 5.140294405481095, 5.19169099791757, 5.2026472780148865, 5.205720247364215, 5.259702525987876, 5.314782184327515, 5.318201742177949, 5.351752531484977, 5.467443000446131, 5.487881369644433, 5.488564184825778, 5.532082259755789, 5.572046435905017, 5.577552570858386, 5.630235538194492, 5.630361248285708, 5.6472164950772665, 5.675656452936617, 5.721640065845154, 5.725904697592611, 5.733046478759753, 5.74338993604292, 5.783123349647039, 5.832890477025592, 5.846628740856065, 5.860325724413685, 5.891715134292668, 5.898907895647979, 5.932501616688242, 5.93619083404504, 6.071427950455626, 6.098204179611385, 6.274525139663953, 6.480861626589099, 6.564847894962189]
C Index: [48, 46, 51, 49, 50, 47, 36, 33, 32, 17, 31, 20, 35, 21, 34, 43, 40, 19, 37, 44, 54, 18, 52, 29, 42, 16, 57, 41, 55, 45, 27, 56, 53, 38, 24, 23, 39, 6, 14, 2, 3, 13, 26, 11, 22, 25, 5, 15, 1, 10, 4, 12, 7, 30, 28, 9, 8]
Global Index: [76, 74, 79, 77, 78, 75, 57, 54, 53, 30, 52, 33, 56, 34, 55, 67, 64, 32, 61, 68, 86, 31, 84, 50, 66, 29, 89, 65, 87, 69, 44, 88, 85, 62, 41, 40, 63, 6, 23, 2, 3, 22, 43, 20, 39, 42, 5, 24, 1, 19, 4, 21, 10, 51, 49, 16, 13]
H: [4.713130711768138, 4.77925669508978, 4.811279838947663, 4.876061887622192, 4.928706853691104, 5.0224383565213, 5.101817015748807, 5.1458691734719295, 5.192643688776141, 5.322007947332311, 5.408430181339881, 5.440465579130675, 5.495005270818883, 5.579452084222768, 5.617095255078791, 5.639016371510214, 5.695485261079385, 5.7191037776561915, 5.770028666952804, 5.802632151699044, 5.870414639327645, 5.879597796293823, 5.8939980889747545, 5.9122122467960105, 5.943788660485785, 5.962759194253976, 5.994677061066887, 6.025413620564238, 6.040475630648216, 6.14468138277924, 6.177192864806861, 6.2548855169612665, 6.290480609453759, 6.307163406923526, 6.3478205989536916, 6.378868949543122, 6.392279177150522, 6.428969933916843, 6.745292139546769, 6.782379582320395, 6.810167361953094, 6.901870802439002, 6.937015449729955, 7.062840074983854, 7.1320027618471915, 7.2303520658723155, 7.280291726743404, 7.351154312152469]
H Index: [29, 32, 30, 31, 22, 24, 16, 26, 17, 33, 27, 23, 15, 14, 36, 25, 21, 34, 48, 47, 18, 28, 12, 39, 40, 3, 35, 11, 1, 20, 43, 13, 46, 19, 44, 10, 2, 45, 42, 5, 4, 41, 37, 38, 8, 7, 9, 6]
Global Index: [80, 83, 81, 82, 58, 60, 37, 71, 38, 90, 72, 59, 36, 35, 93, 70, 48, 91, 105, 104, 45, 73, 27, 96, 97, 9, 92, 26, 7, 47, 100, 28, 103, 46, 101, 25, 8, 102, 99, 12, 11, 98, 94, 95, 17, 15, 18, 14]
Dummy atom index = 31
Sum Hydrop. =0.03694479344186776 Individual = [0.0016431160103337625, 0.0014345089468666375, 0.0015768937747937283, 0.00154659902105211, 0.0014851209548750475, 0.00132190511957691, 0.0011839859481073633, 0.0012299668087164119, 0.0011619581691613842, 0.0009662206869070427, 0.0009067843056853331, 0.000992183602136657, 0.0008582824419820124, 0.000939787517204765, 0.0008977964051417403, 0.0008838412983367096, 0.000726936996331166, 0.0007792561270990979, 9.550311879598594e-05, 0.0007548382757892525, 0.0007427005903968477, 0.0007400022100452433, 0.0006362213642736986, 8.257668603384645e-05, 0.0006585594786569176, 0.0005959285146047023, 0.0006220370106311206, 0.0005343541284035752, 0.0005866922330055455, 0.0005673347900367446, 0.0005053539723761003, 0.000495130195865404, 0.0004491140123083829, 5.875264230646356e-05, 0.00045516303965301646, 0.00041087473804868573, 5.3259854526771066e-05, 0.0003897399481161932, 0.00042220273970173226, 0.0004103644497312269, 0.00039192169168860943, 0.0003902538488951462, 0.0003874766701124322, 0.0003480865059691508, 0.0003345270073097181, 0.0003506580887369642, 0.00031394324602905034, 0.00034116846759892495, 0.00030010302459066156, 0.000297952199611054, 0.00031741196455459866, 0.0003162431202118225, 3.4260409198616574e-05, 3.3355217522840027e-05, 2.7963308707261688e-05, 2.2749809246868208e-05, 2.091717291661498e-05, -9.634916524994271e-05, -9.018406493542354e-05, -8.734183903811347e-05, -8.186303576709537e-05, -7.766483564032963e-05, -7.071594559815356e-05, -6.53196184678642e-05, -6.250460721043429e-05, -5.964830629476492e-05, -5.241021397568736e-05, -4.8071008500846946e-05, -4.6555440151357125e-05, -4.408432036912356e-05, -4.05143956312705e-05, -3.901765311866665e-05, -3.8171649155094185e-05, -3.607586859274346e-05, -3.5233793518909326e-05, 0.00036734091659726815, 0.00035555745733060497, -3.028627996514707e-05, -3.0009429428844023e-05, -2.9580381484094434e-05, 0.0003186542837434608, 0.0003087495255907657, -2.7614755477361913e-05, -2.674726919058293e-05, -2.5937656255991446e-05, -2.554991046187995e-05, -2.3021488447456935e-05, 0.00024447820090119473, -2.0619225678160083e-05, 0.00021829304482590464, -1.956898736740824e-05, 0.0002061282221805034, -1.8214910070230386e-05, -1.797227451551755e-05, 0.00019006176113807409, 0.0001385216834157629, 0.00013347836830708497, 0.00012982036016275414, 0.00011844493978607995, 0.00011435453311594829, 0.00010083433643760183, 9.409606702591001e-05, 8.528230136206574e-05, 8.112792948564706e-05, 7.557795950395568e-05]
-------------
C: [3.5613782092131285, 3.6524583648617894, 3.6715776804169598, 3.7166446757623635, 3.867710083853693, 3.885120263071752, 3.8857825797894456, 3.903288587368868, 3.983381132501428, 4.218952137966601, 4.220060700364547, 4.235532829960451, 4.421514064210258, 4.469441024232678, 4.509755587707314, 4.527450796473425, 4.5785670736879425, 4.7749786533158485, 4.79787653557054, 4.80557260966667, 4.831654347064731, 4.952006069660765, 5.005747527159856, 5.200399628428979, 5.238234402957706, 5.23882372378146, 5.30132132048474, 5.3485266233719875, 5.427622378522588, 5.440459872183675, 5.448147087949456, 5.8434086346672816, 5.855326661923066, 5.999964327353364, 6.0151228544682755, 6.0417123621340005, 6.059440287947494, 6.075753901030846, 6.221212615905245, 6.252871928297701, 6.294632931660809, 6.299521725495273, 6.336353847439048, 6.34086821076606, 6.496596903015774, 6.521578650530073, 6.563349721096072, 6.590863587672453, 6.617717746948053, 6.662540364992797, 6.673029466429387, 6.797439075102262, 6.807832768912437, 6.8495583391984045, 7.017829112884383, 7.364901913675652, 7.3847678912115375]
C Index: [36, 32, 33, 46, 49, 35, 48, 31, 34, 50, 37, 51, 47, 52, 40, 54, 43, 39, 55, 38, 42, 57, 44, 56, 45, 17, 53, 41, 21, 20, 29, 18, 19, 11, 14, 23, 27, 16, 15, 26, 28, 13, 24, 30, 12, 25, 10, 22, 6, 3, 2, 1, 5, 4, 7, 8, 9]
Global Index: [57, 53, 54, 74, 77, 56, 76, 52, 55, 78, 61, 79, 75, 84, 64, 86, 67, 63, 87, 62, 66, 89, 68, 88, 69, 30, 85, 65, 34, 33, 50, 31, 32, 20, 23, 40, 44, 29, 24, 43, 49, 22, 41, 51, 21, 42, 19, 39, 6, 3, 2, 1, 5, 4, 10, 13, 16]
H: [4.109342882156487, 4.139555772506932, 4.242326133000392, 4.271746026191848, 4.624309301050209, 4.705410193760168, 4.757593652106335, 4.7951125847049205, 4.82117191517107, 4.9666513511626, 4.976616891175265, 5.162303354867392, 5.185801064082003, 5.40541566770794, 5.421326376634002, 5.456061089567692, 5.462126066514937, 5.585888034975329, 5.610663843840103, 5.637942738150193, 5.660022966760636, 5.807497255837091, 5.838892883437492, 6.156627293786202, 6.164880496752434, 6.165333428040358, 6.215111661365894, 6.32583186389044, 6.345501442470965, 6.520722810729315, 6.548699153263005, 6.645252344716102, 6.68229889107829, 6.924963221456759, 6.938772610041772, 6.942913731621193, 6.97623453128686, 6.989215723377355, 6.9936367725032005, 7.068094261459149, 7.110543493969628, 7.2424352005872965, 7.728088982787723, 7.734421312208845, 8.027845943747169, 8.051333413110513, 8.139880356685328, 8.156901798634227]
H Index: [24, 22, 30, 29, 23, 33, 26, 31, 32, 47, 48, 34, 25, 36, 46, 43, 27, 45, 44, 17, 16, 35, 28, 40, 39, 12, 21, 14, 15, 13, 20, 11, 18, 1, 37, 3, 10, 42, 19, 38, 41, 2, 4, 5, 7, 8, 6, 9]
Global Index: [60, 58, 81, 80, 59, 90, 71, 82, 83, 104, 105, 91, 70, 93, 103, 100, 72, 102, 101, 38, 37, 92, 73, 97, 96, 27, 48, 35, 36, 28, 47, 26, 45, 7, 94, 9, 25, 99, 46, 95, 98, 8, 11, 12, 15, 17, 14, 18]
Dummy atom index = 32
Sum Hydrop. =0.04887219213345877 Individual = [0.0030854807413666025, 0.0031033695591098902, 0.0030445988751334986, 0.002641748505335343, 0.0025023661812297745, 0.002232150394379902, 0.0024575483831672626, 0.0021919621441816787, 0.002229028205257758, 0.001761198780776305, 0.00021818813317407446, 0.0017322376475620638, 0.0013054810872907328, 0.0012443890195143344, 0.0011952197965145336, 0.0012936866933056163, 0.0012292199324200925, 0.0001252660322641032, 0.0009871535344361407, 0.0001214916793271213, 0.0009543665027997142, 0.0008461494932107647, 0.0008018764891229254, 0.0006600413543411895, 0.0006355353513011394, 0.0005765241568978193, 0.0005415956256307637, 0.000516623485822727, 0.0005258835187948762, 0.0005191756407487919, 6.389692890337039e-05, 0.0003469891407928049, 0.00034287826020759816, 0.00026931363719277644, 0.0002922411346602179, 0.000258301783067002, 0.0002795725505751694, 0.0002496567724273144, 0.00023781415413865245, 0.0002304030556909982, 2.7406643720045253e-05, 0.00021990164849163872, 0.00021194954946716644, 2.616833720814219e-05, 0.0001805675988567153, 0.00017611258341918484, 0.00015331448114494408, 0.00014915370890909813, 0.0001452016140461868, 0.00015295775231265388, 0.0001513617478921036, 0.00012131638561256343, 0.00012006199043858117, 0.00012686756922305282, 1.3297675882929063e-05, 9.398183947365387e-06, 9.213322146095854e-06, -0.00017622587637755645, -0.00017098121050154218, -0.00015428218716962135, -0.0001498093396604358, -0.00010529860190688011, -9.709590963281057e-05, -9.215904097056317e-05, -8.876539322988387e-05, -8.648210619090485e-05, 0.000820297976902642, 0.0008121638623314366, -6.148578980280616e-05, -6.005785687084346e-05, -4.8216137848569724e-05, 0.0005206055406108765, 0.0005028329071219069, -4.555786956263506e-05, 0.0004416116945797494, 0.0004308048347905556, -3.8212653518921805e-05, -3.737815624244638e-05, -3.2253036280004145e-05, -3.125616258394942e-05, 0.00024955809108539605, 0.00024750691354313555, -2.2550923416045305e-05, -2.145585957006358e-05, -1.9207053454139448e-05, -1.8832950096021397e-05, -1.5805952856340622e-05, -1.5369888292027975e-05, -1.3955268373418389e-05, -1.3447733136229632e-05, -1.0550214815859588e-05, 0.00011415377030675728, -1.03625227020011e-05, -1.0022924422202255e-05, 0.00010853831979926599, -9.850011969502613e-06, 0.00010030592343670192, 9.613712117341415e-05, -7.68042006999028e-06, 5.1843524049888335e-05, 5.1516271007811935e-05, 3.8415962684736334e-05, 3.752418276125394e-05, 3.4344388922967984e-05, 3.376474508256064e-05]
-------------
C: [2.7200574234153776, 2.7220141595946896, 3.0543829989877995, 3.1242025416546735, 3.1634241115396335, 3.197470371583563, 3.390676991143217, 3.5133007079322796, 3.5188193757176855, 3.545432428103624, 3.829833475805484, 3.9997895641009245, 4.0271985184525265, 4.1107142129861955, 4.124788810459574, 4.278439925716138, 4.59801871102144, 4.670672636918841, 4.6844913329026365, 4.697739944548974, 4.901027331231001, 5.157304737087586, 5.183417209046394, 5.250150864504234, 5.483380038945203, 5.5198187021059, 5.559890256066005, 5.712194932673965, 5.78706184791088, 5.914002012810681, 5.9991754992425435, 6.302969783459875, 6.307189659702527, 6.317070089279674, 6.389587408834099, 6.49052431616342, 6.695511890337592, 6.702089819456051, 6.765678619517352, 6.939269899796749, 6.990990869294809, 7.1146164372752985, 7.120326748537784, 7.172980794283236, 7.182400516197341, 7.319628293962576, 7.4324413024614655, 7.438153742259106, 7.493642265126282, 7.588993515082713, 7.5932602039106465, 7.6114721320029295, 7.741641105474836, 7.7572758406703555, 7.765928202844128, 8.082947827492172, 8.381623740232028]
C Index: [5, 2, 22, 4, 6, 24, 9, 3, 1, 25, 27, 16, 19, 7, 26, 23, 18, 8, 20, 10, 12, 13, 21, 17, 30, 41, 15, 44, 14, 45, 11, 47, 43, 51, 29, 42, 50, 40, 48, 53, 56, 28, 49, 57, 46, 55, 33, 31, 54, 34, 52, 36, 38, 32, 35, 37, 39]
Global Index: [5, 2, 39, 4, 6, 41, 16, 3, 1, 42, 44, 29, 32, 10, 43, 40, 31, 13, 33, 19, 21, 22, 34, 30, 51, 65, 24, 68, 23, 69, 20, 75, 67, 79, 50, 66, 78, 64, 76, 85, 88, 49, 77, 89, 74, 87, 54, 52, 86, 55, 84, 57, 62, 53, 56, 61, 63]
H: [3.1224598837988684, 3.434195578720765, 3.7329311397218508, 3.9985456727300375, 4.03463799461615, 4.046205429321265, 4.249383041543958, 4.30483577825309, 4.427930579226084, 4.634943187132881, 4.878652471036107, 4.955201888593269, 5.002059255455106, 5.008039823864294, 5.132787420832562, 5.274685383447128, 5.4002298208644754, 5.447362836248103, 5.757790995138765, 5.928537038921121, 6.055696053598193, 6.089054031875916, 6.111204472561535, 6.2259045711312435, 6.315850430372255, 6.424945328647628, 6.761198788215119, 6.93999990392202, 6.978116885463772, 7.064591901124449, 7.084994343645234, 7.086399557021495, 7.190204492626918, 7.404425466158842, 7.590212303282073, 7.646843128172191, 7.681241865345549, 7.741852982462975, 7.860523828922918, 7.8611050342161555, 7.942458784075698, 8.14822687241398, 8.389027220619427, 8.488897168170535, 8.68823978345039, 8.889619979571927, 9.045799794295672, 9.147562710863843]
H Index: [3, 18, 2, 19, 15, 8, 9, 1, 21, 5, 20, 10, 4, 14, 16, 6, 11, 7, 27, 17, 13, 42, 28, 41, 32, 12, 26, 39, 31, 25, 29, 35, 40, 36, 22, 34, 30, 38, 37, 23, 33, 24, 43, 44, 48, 47, 45, 46]
Global Index: [9, 45, 8, 46, 36, 17, 18, 7, 48, 12, 47, 25, 11, 35, 37, 14, 26, 15, 72, 38, 28, 99, 73, 98, 83, 27, 71, 96, 82, 70, 80, 92, 97, 93, 58, 91, 81, 95, 94, 59, 90, 60, 100, 101, 105, 104, 102, 103]
Dummy atom index = 33
Sum Hydrop. =0.07232864634157814 Individual = [0.007156551729214525, 0.007869013310027784, 0.005122807800789699, 0.005263226801086663, 0.004593588719928821, 0.004891389766878347, 0.0005000666532584879, 0.0035667190252363476, 0.0032196295636628632, 0.003453935869379414, 0.0025989651973677393, 0.001990321378069292, 0.0021334669278031924, 0.00024339951165690501, 0.0019350981140612636, 0.0015062841054144015, 0.001205540639219012, 0.00013903778771905988, 0.0011056744466043688, 0.000990392194508334, 0.0008904035512667682, 0.0006891075692045037, 0.0006713461733253817, 0.0005700306326029727, 6.168484941039632e-05, 0.0004352942604477511, 0.00046072985044393863, 0.0003956409812017183, 0.00036710219569244235, 0.00032333861145009585, 0.0002695261631726347, 0.0001989137237734086, 0.00021822190542892617, 0.00021607639599180263, 2.4923994608485417e-05, 0.0001816674473664328, 0.00014799673744663355, 0.000133453238869596, 0.000137968238112541, 0.00010527448325396135, 0.00011013548065753492, 1.2070952539378616e-05, 9.677371044085174e-05, 9.181000928569879e-05, 8.255299486382109e-05, 7.928697184049699e-05, 7.082845431872384e-05, 6.392351068382511e-05, 6.662366564565931e-05, 6.0564481325241455e-05, 5.473923680788859e-05, 5.375135270493856e-05, 6.44804691916326e-06, 5.11839639512089e-05, 4.6058520026660966e-05, 4.583535115638875e-06, 3.4000653327963307e-06, -0.0004727891696819793, -0.0003461644198776737, -0.0002567693736311245, -0.00019687396848686056, -0.00018989503046368245, 0.002059283905286812, 0.0016806501142906632, -0.00014493330406149224, -0.00012814710523033248, 0.0011429590367010092, -8.165123720379748e-05, -7.563412379303535e-05, 0.0007917611407964384, -7.174151709435696e-05, -6.332764869596641e-05, 0.000602829032559342, -4.846682881549629e-05, 0.0005072257524695801, -3.3896726548255256e-05, -2.8576148574130814e-05, -2.5163974522932823e-05, 0.000267004357903431, -2.380522204589554e-05, 0.000232854650368074, -1.9399727362519097e-05, -1.7394674814175215e-05, -1.242748627585429e-05, 0.00011401375601996592, -1.00040754743147e-05, -9.175322486725957e-06, -8.990020234136054e-06, -8.977396209251816e-06, 8.877583807747168e-05, -6.531809278818145e-06, -5.42434491739981e-06, -5.125695969298753e-06, -4.952376574977776e-06, 5.113483816604576e-05, 4.5412853556236445e-05, -4.137138679400321e-06, -3.813893787721239e-06, -3.104592821676994e-06, 2.6770265927191966e-05, 2.4225888732987623e-05, 1.9847523297230325e-05, 1.6227365286040913e-05, 1.3880975277822487e-05, 1.2537903058603017e-05]
-------------
C: [3.650235972999487, 3.650410302038462, 3.682693547222048, 3.7048086553974406, 3.8831002923337645, 3.9347827807078923, 3.935925315916719, 4.012539408098584, 4.152645922176164, 4.206928069748248, 4.227878966455877, 4.242117506202683, 4.246165310293727, 4.377027995466791, 4.451244626973952, 4.751019769914007, 4.8255216755207435, 4.839349816760209, 4.934491441545401, 4.982792979664304, 4.9987477035300625, 5.10101078463278, 5.167962495812867, 5.180059968293042, 5.192276494499904, 5.204418517142574, 5.243642008686316, 5.270034564365076, 5.4104018774552705, 5.536360338664048, 5.637440345016477, 5.692473182087241, 5.744836868248378, 5.753314707622529, 5.817029343512204, 5.846866070993096, 6.040177743632056, 6.112459395834534, 6.128252485758487, 6.308824589623426, 6.335072033868201, 6.377704833648672, 6.383212601035349, 6.454192908765353, 6.462503521284062, 6.50457892005547, 6.504868011101478, 6.597049277521071, 6.647914184188227, 6.694893766727055, 6.698544996163098, 6.723903406382856, 6.78007467700789, 6.784838764799189, 6.813413313754822, 7.188756716570275, 7.439925096860515]
C Index: [22, 24, 5, 2, 25, 4, 27, 6, 26, 23, 1, 3, 9, 19, 16, 20, 7, 18, 10, 41, 12, 44, 17, 21, 8, 30, 13, 45, 15, 43, 14, 42, 11, 51, 47, 40, 48, 50, 29, 56, 53, 46, 49, 31, 33, 57, 55, 34, 36, 54, 28, 52, 35, 32, 38, 37, 39]
Global Index: [39, 41, 5, 2, 42, 4, 44, 6, 43, 40, 1, 3, 16, 32, 29, 33, 10, 31, 19, 65, 21, 68, 30, 34, 13, 51, 22, 69, 24, 67, 23, 66, 20, 79, 75, 64, 76, 78, 50, 88, 85, 74, 77, 52, 54, 89, 87, 55, 57, 86, 49, 84, 56, 53, 62, 61, 63]
H: [3.998130776372761, 4.049606104549806, 4.372529309333663, 4.4188697027609765, 4.4492280025324895, 4.510943291338746, 4.788486320041075, 4.898916293610425, 4.932573842360872, 5.0586219032296915, 5.133500738241964, 5.1509130177854985, 5.266484717890565, 5.288319779238441, 5.413252126404544, 5.556061551452603, 5.569223603360505, 5.689075199288361, 5.828413271374416, 5.834422713038933, 5.836753193140733, 5.855968812835943, 5.867431242305116, 5.973767315095786, 5.98682565052723, 5.989034718703458, 6.2090293349431676, 6.245197015908062, 6.342819393263438, 6.473889127508164, 6.481352481683761, 6.667465301969585, 6.724217170385819, 6.812887620895273, 6.818524467945789, 6.898010086470763, 6.917397915691347, 6.947983638428211, 7.134407336059178, 7.214943731062849, 7.349185952617111, 7.470757448153354, 7.48242398106172, 7.566115089254692, 7.807624184014231, 8.001401698282507, 8.105367644132711, 8.215749322688739]
H Index: [18, 3, 19, 2, 21, 15, 20, 1, 8, 9, 16, 10, 27, 14, 5, 28, 11, 4, 17, 6, 13, 32, 42, 41, 7, 26, 12, 25, 29, 31, 35, 22, 39, 34, 36, 23, 30, 40, 33, 24, 38, 37, 43, 44, 48, 47, 45, 46]
Global Index: [45, 9, 46, 8, 48, 36, 47, 7, 17, 18, 37, 25, 72, 35, 12, 73, 26, 11, 38, 14, 28, 83, 99, 98, 15, 71, 27, 70, 80, 82, 92, 58, 96, 91, 93, 59, 81, 97, 90, 60, 95, 94, 100, 101, 105, 104, 102, 103]
Dummy atom index = 34
Sum Hydrop. =0.04737071897184721 Individual = [0.0028231399227653326, 0.00310973196801356, 0.002732978770541353, 0.002945086490313029, 0.0024641490828967174, 0.0023400307256175525, 0.002337358684864788, 0.0019651061775083495, 0.0018819357820947127, 0.0016179462799439312, 0.0015844014783946616, 0.0017208688943350344, 0.00021256611659820288, 0.0015036851248478773, 0.0012672396858576325, 0.001034509157930703, 0.00011909204859155879, 0.00094705039086302, 0.000781605020251339, 0.0007447495487113078, 0.0008075091740211364, 0.000729012832654593, 0.000618859624738626, 0.0006736038316888914, 8.252835181753319e-05, 8.153234967794745e-05, 0.0006321079021935985, 0.0006156431878552124, 0.0005350179202470721, 0.0004716993351982627, 0.0004263504985631903, 0.00040352116404204915, 0.0003475832125968816, 0.0003797022572164906, 0.0003233746705713093, 0.0003138687466762708, 0.00028501003094489973, 0.00026513595276794885, 3.2367858261290966e-05, 0.0002178654194005891, 0.00019262955328293134, 0.00018458981212962768, 0.00020224695870978352, 0.00017099734952558975, 0.00018682990393641374, 0.00017913204214679647, 0.00017908026416199512, 0.00016331042574474437, 0.00014088258051151437, 0.0001480882460032179, 1.8299493667734023e-05, 0.0001305736661299549, 0.00012344136775175395, 0.00013534991049574452, 1.631369719155398e-05, 1.1208379527158654e-05, 8.718901806230384e-06, -0.00019695566772641484, -0.00018707382748270682, -0.00013544696121328662, -0.00012931350664970197, -0.00012544675935717448, -0.00011793883605037403, -8.93555292578942e-05, -8.001332227555246e-05, 0.0008487334415963695, 0.0007482200421035023, -6.328249208906671e-05, -6.219013743775664e-05, -5.540250032604146e-05, -5.420589485131685e-05, 0.0005248260558354604, -4.1473218908275134e-05, -4.09309229409582e-05, 0.00039831526410547403, -3.158543736492324e-05, 0.00034443186752722125, -3.132311269244999e-05, -3.072696568173445e-05, 0.00033324827060852107, 0.0002996309937669377, 0.0002957437474653806, -2.689861300593814e-05, -2.1586758794005313e-05, -2.081996593370897e-05, -1.8883528791858024e-05, -1.6563811994248967e-05, -1.6440650569196596e-05, -1.3648698115039717e-05, 0.00014147200337396757, -1.1801443116108369e-05, -1.1735107324290004e-05, -1.0838443058364177e-05, -1.0630333094346649e-05, 0.0001131071244305223, -8.556593084700477e-06, -7.894495242157865e-06, 7.572687060842552e-05, 6.705824457238175e-05, 6.628045324132852e-05, 6.0959147251495126e-05, 4.787985383094587e-05, 3.9445395124480904e-05, 3.555039857094208e-05, 3.183510746625741e-05]
-------------
C: [4.279648552457075, 4.292688431426435, 4.369375169301616, 4.395360032199106, 4.413054903243345, 4.4257027304594665, 4.603048256564956, 4.627250922633626, 4.6610890507288865, 4.694875212524994, 4.750906104279099, 4.817093474433431, 4.849941256923232, 4.909014182009851, 4.918708457879766, 4.968057563963631, 5.0199520575586725, 5.036648817524785, 5.045163798748666, 5.062493545797198, 5.064369655594374, 5.10925508774521, 5.153945015851026, 5.262778470641803, 5.277460432462017, 5.287238249371867, 5.319387722005185, 5.350668274782002, 5.366398101817077, 5.403062757986608, 5.4435757817491, 5.472497846080511, 5.476046120480613, 5.503337152190724, 5.513054587008338, 5.607967168958382, 5.627907918666966, 5.63589928185551, 5.6475162910610255, 5.658285483683166, 5.663160112136448, 5.696930575705205, 5.7208899719109265, 5.72640840440937, 5.7488831369166915, 5.799067545724696, 5.821747646574488, 5.839887628149194, 5.840617142594847, 5.896113424319514, 5.908654242898738, 5.930214193374788, 5.957225083697491, 6.0236309484628014, 6.326326001567422, 6.412740684114358, 6.515623866597025]
C Index: [27, 24, 23, 22, 26, 25, 41, 44, 5, 2, 45, 4, 43, 19, 6, 42, 20, 1, 40, 16, 3, 30, 9, 18, 17, 12, 51, 10, 21, 48, 15, 47, 31, 33, 13, 34, 7, 46, 50, 11, 14, 36, 56, 49, 55, 35, 32, 8, 53, 52, 38, 57, 54, 29, 37, 28, 39]
Global Index: [44, 41, 40, 39, 43, 42, 65, 68, 5, 2, 69, 4, 67, 32, 6, 66, 33, 1, 64, 29, 3, 51, 16, 31, 30, 21, 79, 19, 34, 76, 24, 75, 52, 54, 22, 55, 10, 74, 78, 20, 23, 57, 88, 77, 87, 56, 53, 13, 85, 84, 62, 89, 86, 50, 61, 49, 63]
H: [4.688783469365274, 4.709182533843094, 4.904890675773959, 4.92439413786668, 4.931487141202811, 5.004883962499116, 5.137394263788182, 5.1399333660805215, 5.207498824392829, 5.293700470361846, 5.325425142803586, 5.486028873928825, 5.523566246263904, 5.5402865282385, 5.609558861967268, 5.680279118285701, 5.731682937633442, 5.770516813686811, 5.784800859296053, 5.811791441823422, 5.855663160088403, 5.883018284943582, 5.8985804310874, 5.905084332192182, 5.92638632607671, 5.947109713728695, 5.983209949676015, 6.02964888223368, 6.09330498197343, 6.150135615436345, 6.220877048623031, 6.2549099769778564, 6.302160337572896, 6.337115696912059, 6.380978336970658, 6.458371036974549, 6.500666957666605, 6.602844807841641, 6.634033529451339, 6.653314545591939, 6.6656447517041695, 6.8446996014390535, 6.959344815632984, 7.077060175681599, 7.142794613689519, 7.181049740436789, 7.199763803987783, 7.301997693599628]
H Index: [21, 18, 20, 19, 27, 3, 28, 15, 2, 26, 16, 25, 10, 32, 1, 29, 14, 22, 13, 42, 8, 41, 17, 11, 9, 23, 35, 34, 31, 12, 30, 5, 24, 36, 33, 4, 6, 43, 7, 39, 44, 40, 48, 38, 47, 45, 37, 46]
Global Index: [48, 45, 47, 46, 72, 9, 73, 36, 8, 71, 37, 70, 25, 83, 7, 80, 35, 58, 28, 99, 17, 98, 38, 26, 18, 59, 92, 91, 82, 27, 81, 12, 60, 93, 90, 11, 14, 100, 15, 96, 101, 97, 105, 95, 104, 102, 94, 103]
Dummy atom index = 35
Sum Hydrop. =0.03651806634147014 Individual = [0.0016574798533129267, 0.001636006823754031, 0.0013753531259429069, 0.0013400750959098276, 0.0014504762305240573, 0.0014322463847636151, 0.0010887578178691566, 0.0011708101182470306, 0.001027364346279212, 0.0010942526601066295, 0.0010346267527540757, 0.0009683645766551986, 0.0009370726956711076, 0.0008833203548392196, 0.0007940389436144938, 0.0008326759539478784, 0.0007905667252617419, 0.0007057013618371565, 0.0006997178389368734, 0.0006876963711367112, 0.0007562200944126666, 8.967242421536973e-05, 8.575319727414764e-05, 0.0006201265988804007, 0.0005546739883829232, 0.0006051424411323236, 0.0005859968402947767, 0.0005155182423514364, 0.0005590863971112724, 0.0005389589247436498, 0.0005175604540982203, 0.00045638790612120047, 0.00045477138622151535, 0.00048753640637275874, 0.00048282174741796273, 0.000439103413160913, 5.3383967592163e-05, 0.0003875875208085856, 0.000422076183987433, 0.00037900730587602253, 0.0004155246785855547, 0.00036463993585799065, 0.00039221578005539843, 0.0003900573248705918, 0.0003813886685821884, 0.00032923553931167305, 0.0003545872627714636, 4.3186621468114366e-05, 0.0003158362309324489, 0.0002987859829393333, 4.0316634248499415e-05, 0.0003181388511139803, 0.00030966065477460814, 3.593771994455158e-05, 2.6551663089458837e-05, 2.4353551793076416e-05, 2.1972562602909503e-05, -9.872379223796183e-05, -9.673032083719228e-05, -7.953671723805252e-05, -7.800050530966996e-05, -7.744920496424001e-05, -7.196828100596429e-05, -6.303657913433585e-05, -6.287672583956993e-05, -5.876877159330651e-05, -5.391501294868668e-05, -5.223142368450895e-05, -4.448182011405756e-05, -4.284303964956881e-05, -4.213264747487203e-05, -3.931281632680608e-05, -3.6628635476889096e-05, -3.4793357956020054e-05, -3.346809607820568e-05, -3.299343438258931e-05, 0.00035231567231123264, 0.00033719312984340324, 0.0003280941884056799, -2.944514414483033e-05, -2.9254257266871917e-05, 0.00031416951150517827, -2.8050311277261197e-05, -2.7055748408295638e-05, -2.582803579418449e-05, -2.4235159747797877e-05, -2.2896265700782664e-05, -2.1332514139457806e-05, 0.00022619761840222743, -1.9667137690033555e-05, -1.8991542451862307e-05, -1.817652826321682e-05, 0.00018455508357877155, 0.00017691193284634276, 0.00015972829317190118, 0.00015482345726995167, 0.00015186689801776013, 0.00015000584502561397, 0.00012541389286252212, 0.00011182936650783468, 9.941060878602112e-05, 9.30860559589979e-05, 8.959229038261015e-05, 8.793124549330327e-05, 7.938594347645043e-05]
-------------
C: [4.288656501945558, 4.326836333890834, 4.336195472656594, 4.354186604743767, 4.401017304413857, 4.421298522644619, 4.507499985990526, 4.561741757131427, 4.623584363476987, 4.741796595825609, 4.766054234739534, 4.81033006898921, 4.825863256864129, 4.868843702884077, 4.873546373686147, 4.889010856892798, 4.985138161103788, 5.040018744032513, 5.048875255845932, 5.0526084912029505, 5.077992398773251, 5.1083482101820525, 5.130051657294943, 5.180550484086037, 5.20797494250156, 5.2262947646231295, 5.258887376507013, 5.297040208213417, 5.306171769544253, 5.331671468674105, 5.461469442033101, 5.479537738840531, 5.485661267198933, 5.510587829459017, 5.567345945266558, 5.571217677065549, 5.617314598190364, 5.647058571938007, 5.656198909843883, 5.688418000574098, 5.723935350723289, 5.737795570399375, 5.738141123351965, 5.7471069754210635, 5.783087676433073, 5.828753538547043, 5.855502820910579, 5.8619136182450795, 5.904295221882762, 5.90847663842656, 5.940686849465092, 5.941390332285776, 6.0838130376724004, 6.090679650949428, 6.275028374260095, 6.485447990776593, 6.576385011804269]
C Index: [43, 40, 44, 42, 45, 41, 31, 33, 34, 23, 36, 27, 35, 26, 32, 48, 46, 38, 51, 24, 55, 25, 52, 49, 30, 22, 56, 47, 54, 50, 20, 57, 53, 37, 17, 19, 39, 5, 15, 2, 21, 12, 4, 11, 16, 18, 6, 14, 1, 10, 13, 3, 29, 9, 28, 7, 8]
Global Index: [67, 64, 68, 66, 69, 65, 52, 54, 55, 40, 57, 44, 56, 43, 53, 76, 74, 62, 79, 41, 87, 42, 84, 77, 51, 39, 88, 75, 86, 78, 33, 89, 85, 61, 30, 32, 63, 5, 24, 2, 34, 21, 4, 20, 29, 31, 6, 23, 1, 19, 22, 3, 50, 16, 49, 10, 13]
H: [4.70935159846693, 4.785736052471185, 4.815655702358152, 4.890380320555604, 4.91351554806902, 5.015344927440187, 5.11602883364303, 5.128331489647134, 5.214048699942122, 5.319576444708326, 5.394180094607041, 5.420243241640612, 5.5106942002915265, 5.6018124468005475, 5.616780980611457, 5.620469074016498, 5.68924213526533, 5.703858434162145, 5.762677370850734, 5.797891200082591, 5.860502603993623, 5.872752390304026, 5.904248819772602, 5.92681112769133, 5.961032825530685, 5.9748152569058295, 5.985465294538346, 6.04050190273455, 6.058851257633455, 6.133196633247709, 6.156782043157895, 6.252702687185151, 6.279965453941692, 6.303812537475407, 6.325867580769125, 6.381519442607331, 6.398040356230125, 6.414031782070314, 6.731871383995618, 6.8005365507796744, 6.830406591996029, 6.886606466759499, 6.93967054652397, 7.061230828778113, 7.137541527456841, 7.244090929479848, 7.283923137932299, 7.360619564272997]
H Index: [26, 27, 25, 28, 22, 23, 21, 29, 20, 34, 32, 24, 18, 19, 30, 35, 16, 33, 43, 44, 31, 15, 13, 42, 41, 3, 36, 10, 2, 17, 48, 12, 45, 14, 47, 11, 1, 46, 39, 8, 9, 40, 38, 37, 5, 6, 4, 7]
Global Index: [71, 72, 70, 73, 58, 59, 48, 80, 47, 91, 83, 60, 45, 46, 81, 92, 37, 90, 100, 101, 82, 36, 28, 99, 98, 9, 93, 25, 8, 38, 105, 27, 102, 35, 104, 26, 7, 103, 96, 17, 18, 97, 95, 94, 12, 14, 11, 15]
Dummy atom index = 36
Sum Hydrop. =0.036972085767638815 Individual = [0.0016426164036235818, 0.0014351212672342902, 0.0015663551626710324, 0.0015384266461816328, 0.0014680419941952919, 0.0013057625030555068, 0.0011979187791100693, 0.001250076917555741, 0.001175110842418449, 0.0009477060397073441, 0.0009249935185898662, 0.0009749362171887351, 0.0008712924713001464, 0.0009195260890224908, 0.0009152120123236894, 0.0009011676061626738, 0.0007430050223076337, 9.610099244799716e-05, 0.000768028516819177, 0.0007651666309755508, 0.0007459881540633047, 0.0007236833315898664, 0.0006427715079681724, 0.000673273499394453, 8.12429009684232e-05, 0.0005837928439719727, 0.0006225442704956339, 0.000543919227561217, 0.0005937927483836942, 0.0005788426337484413, 0.0005083817682034658, 0.0004992786619877652, 0.00045041964744993484, 6.002916681790183e-05, 0.00041508985714379203, 0.0004555404164010861, 5.3952487006837575e-05, 0.0003832863628015592, 0.0004184273211503536, 0.0004051608379473215, 0.00039102315135376925, 0.0003856408705384213, 0.00038550763421839513, 0.0003467950563908615, 0.00033453894117608564, 0.00035211174444600696, 0.00031116961345175833, 0.0003406271581784416, 0.0002963513499309422, 0.00029511476862605085, 0.0003148244777757194, 0.0003146030820472498, 3.3838707837077794e-05, 3.360714644767158e-05, 2.7949240143088608e-05, 2.2645709239215844e-05, 2.0677235801334752e-05, -9.671396854422253e-05, -8.960161912357298e-05, -8.696047808072215e-05, -8.069923714915926e-05, -7.885367302785823e-05, -7.121934745505042e-05, -6.439787329666793e-05, -6.361046197099094e-05, -5.838510132110103e-05, -5.253780460410497e-05, -4.876092857693672e-05, -4.7506483726173594e-05, -4.339808182603683e-05, -3.9618532296101855e-05, -3.902991729787538e-05, -3.888623643437498e-05, -3.630179930230769e-05, -3.577506021866753e-05, 0.0003700512986499961, 0.0003572471402202291, -3.0587971360126046e-05, -3.0215560878601543e-05, -2.9278709775908986e-05, 0.00031403608013236414, 0.0003034710401517538, -2.7283829098090776e-05, -2.699479712404548e-05, -2.5549239221243955e-05, -2.5084702174956017e-05, -2.328740856621147e-05, 0.00024951947511557527, -2.0664283096377287e-05, 0.00022060054071719863, -1.963467047560931e-05, 0.00021070339446742557, -1.816669550183967e-05, -1.786903071215107e-05, 0.00019292224456155142, 0.00014039328009612446, 0.00013107667549529814, 0.00012721930647885044, 0.0001202667924174155, 0.00011405131347856453, 0.00010099673434498416, 9.357633164080182e-05, 8.4118631510322e-05, 8.0833854890835e-05, 7.486596995842008e-05]
-------------
C: [3.556407054005264, 3.6477073572673984, 3.651336181020632, 3.7402336243009855, 3.8663584867449976, 3.869822728827828, 3.9033685476782574, 3.9068169892834392, 3.950969862267138, 4.2298206721175395, 4.262252669167329, 4.2654110298025625, 4.4576570640403, 4.4618054642054155, 4.465405273361767, 4.530160734684005, 4.540018408650946, 4.759736570348865, 4.765580318728838, 4.777278199768379, 4.783769791935842, 4.958145904151936, 4.968540727534306, 5.1849037872897314, 5.192205797341559, 5.279946073801999, 5.2983158145320495, 5.307451107594252, 5.471400590999323, 5.473861435284561, 5.490129183525459, 5.882482317401727, 5.8847711222655015, 6.003522512576034, 6.011579919817235, 6.029316289911564, 6.037828936988457, 6.108119524108949, 6.217127960709907, 6.22323414402299, 6.295134558835347, 6.30408061111424, 6.315829930402536, 6.322856361749922, 6.495363700939408, 6.500146028759545, 6.571951109594945, 6.577185206863639, 6.637227575650267, 6.681926186480718, 6.683887000640363, 6.808345821359358, 6.810296151986751, 6.852181999381854, 7.044828457426288, 7.375187600160259, 7.378937846407297]
C Index: [31, 34, 33, 40, 35, 36, 42, 43, 32, 38, 45, 44, 52, 41, 46, 55, 48, 39, 37, 54, 49, 56, 51, 57, 50, 23, 53, 47, 26, 27, 30, 25, 24, 11, 17, 15, 20, 22, 14, 21, 28, 29, 12, 19, 13, 18, 10, 16, 5, 4, 2, 1, 6, 3, 9, 8, 7]
Global Index: [52, 55, 54, 64, 56, 57, 66, 67, 53, 62, 69, 68, 84, 65, 74, 87, 76, 63, 61, 86, 77, 88, 79, 89, 78, 40, 85, 75, 43, 44, 51, 42, 41, 20, 30, 24, 33, 39, 23, 34, 49, 50, 21, 32, 22, 31, 19, 29, 5, 4, 2, 1, 6, 3, 16, 13, 10]
H: [4.115732685108912, 4.121456755225003, 4.276045706225366, 4.281672603791285, 4.587030485687285, 4.715837302024899, 4.725885829532935, 4.841365462114106, 4.846336111331558, 4.979986423683196, 4.981901384470485, 5.133333959235114, 5.137815286114557, 5.41372855163379, 5.420281357182975, 5.42038226715143, 5.431351854845039, 5.564210373941831, 5.5689933026983995, 5.684598064018418, 5.688832185144915, 5.787275198934022, 5.793325119436147, 6.185174797033627, 6.194739639060888, 6.201445037499578, 6.203004153101913, 6.364821109285267, 6.3686027510907355, 6.509102372862652, 6.514518461264412, 6.668248825367387, 6.675292223408309, 6.94501791634594, 6.949914612295629, 6.953270541998813, 6.954824959604151, 6.969760384866125, 6.973085093250041, 7.0629570861899085, 7.071123292807696, 7.238970242653517, 7.75801866058961, 7.759239892706251, 8.043322441295388, 8.047676639393803, 8.145369228588242, 8.148651183317355]
H Index: [23, 22, 25, 26, 24, 34, 29, 28, 27, 44, 43, 33, 30, 45, 48, 35, 32, 46, 47, 20, 21, 36, 31, 13, 16, 41, 42, 19, 18, 12, 17, 10, 15, 38, 2, 3, 39, 11, 14, 37, 40, 1, 9, 8, 6, 5, 7, 4]
Global Index: [59, 58, 70, 71, 60, 91, 80, 73, 72, 101, 100, 90, 81, 102, 105, 92, 83, 103, 104, 47, 48, 93, 82, 28, 37, 98, 99, 46, 45, 27, 38, 25, 36, 95, 8, 9, 96, 26, 35, 94, 97, 7, 18, 17, 14, 12, 15, 11]
Dummy atom index = 37
Sum Hydrop. =0.04898754615244177 Individual = [0.0031008573330687655, 0.0031181487717293417, 0.003106854065044722, 0.0025801616758141894, 0.0022744248325254615, 0.0022665593062161774, 0.002414707816718118, 0.0024063951788793245, 0.002302457379237469, 0.00021606898141012074, 0.0016865654305717492, 0.0016812470518071609, 0.0012591395895588365, 0.001253926994118891, 0.0012494212110892979, 0.0012901856282804367, 0.0012775298796058351, 0.00012718997270319766, 0.00012644887401240618, 0.001007698120162082, 0.0010011777416548912, 0.000840970191665376, 0.0008322737324379695, 0.0006703489061518661, 0.0006654718395656805, 0.0005532969798708046, 0.0005432258430945389, 0.0005382859140233101, 0.0005033579406124729, 0.0005021207779575418, 6.126993118983615e-05, 0.0003336924639445067, 0.00033292958038886044, 0.000268357072215567, 0.00026620349776301436, 0.00028812252672162864, 0.00028568025119984154, 0.00024170583796641372, 0.00023878752955701075, 0.00023733389173479261, 2.739289925038035e-05, 2.7148933832389293e-05, 0.00021634453128324682, 0.00021482972934495044, 0.00018079041255346893, 0.0001799278776401509, 0.0001520014189047825, 0.00015120790716364535, 0.0001423962108817348, 0.00015002109733385698, 0.00014972722205352216, 0.00012000040813942989, 0.0001197665957479844, 0.00012653514810382626, 1.2943450790682878e-05, 9.302012615713002e-06, 9.267193109481764e-06, -0.00017510341771634304, -0.00017410397664005368, -0.0001491665902325262, -0.0001483296021405494, -0.00010929809404262914, -9.608874012905909e-05, -9.512802475194518e-05, -8.475324043495192e-05, -8.433300708822288e-05, 0.0008094318551738849, 0.0008078833080879376, -6.329304716040604e-05, -6.30100449132837e-05, 0.0005245760750148079, 0.0005211498678938898, -4.7499879572089974e-05, -4.698167293067304e-05, 0.0004512893183535917, 0.00044913598741457965, -3.6470779519036405e-05, -3.6316684280143706e-05, -3.2911898335639564e-05, -3.271338506737131e-05, -2.2107891933259398e-05, -2.18974415063461e-05, 0.00023862039275248146, 0.00023824864584860952, -1.847259594453841e-05, -1.8402871123701156e-05, -1.5990696270221225e-05, -1.5904323358417515e-05, -1.3638008229151791e-05, -1.354228780295919e-05, 0.00011344306663648565, -1.0290229271191792e-05, -1.0255753866002102e-05, 0.00011233596315375535, -1.008802480980851e-05, -1.0054540762336372e-05, 0.00010082253838054951, 0.00010000255334088484, -7.707078561049934e-06, 5.0314854484387964e-05, 5.0253445872863954e-05, 3.782599522322007e-05, 3.766165139918155e-05, 3.41563933852877e-05, 3.404447740054113e-05]
-------------
C: [3.5089700275913547, 3.5308613178095616, 3.682625984544491, 3.695869962253911, 3.8064450884992453, 3.8611300225188856, 3.897285093773314, 3.9113689377468286, 4.067883239291423, 4.247281052290354, 4.3096401530000845, 4.452176179701389, 4.594031982877177, 4.629465846112169, 4.7891625218741, 4.863944943552505, 4.9180154980109565, 5.2455911158389155, 5.25726399328731, 5.364665729857945, 5.411255473837811, 5.422126008414516, 5.496434666763485, 5.544603936464079, 5.557673927607614, 5.631167709598038, 5.638446815628235, 5.669082205628797, 5.680460948039811, 5.705470563715096, 5.828672291417028, 5.835811281362849, 5.836000792011083, 5.907583813779372, 5.956824060635985, 6.006742156432814, 6.0212871920299875, 6.045027674145723, 6.054664065324775, 6.058510382943665, 6.061941206239069, 6.0862586491632, 6.148439733342535, 6.177576904085447, 6.208494804676614, 6.2347530684453485, 6.287153851211066, 6.3097628308304055, 6.31583385822599, 6.329912093756143, 6.369260813850394, 6.535826293865575, 6.561545866432241, 6.567309833652576, 6.6564273788920065, 6.850127308131023, 6.952931429460039]
C Index: [26, 23, 27, 25, 41, 24, 22, 45, 44, 30, 42, 43, 40, 5, 4, 9, 2, 1, 12, 6, 15, 31, 3, 10, 34, 38, 19, 33, 56, 55, 16, 20, 11, 13, 35, 53, 8, 14, 52, 48, 36, 51, 18, 32, 17, 7, 57, 54, 46, 21, 47, 49, 50, 28, 39, 37, 29]
Global Index: [43, 40, 44, 42, 65, 41, 39, 69, 68, 51, 66, 67, 64, 5, 4, 16, 2, 1, 21, 6, 24, 52, 3, 19, 55, 62, 32, 54, 88, 87, 29, 33, 20, 22, 56, 85, 13, 23, 84, 76, 57, 79, 31, 53, 30, 10, 89, 86, 74, 34, 75, 77, 78, 49, 63, 61, 50]
H: [3.935371277375069, 4.209499862226795, 4.211765574565857, 4.224884622395039, 4.4689728083020395, 4.48133715184957, 4.846498427842015, 4.950555111750083, 4.9966478252471465, 5.040341641074176, 5.071615876365596, 5.2146700397604455, 5.3204772566340575, 5.547419352401921, 5.585739188075889, 5.627666037347175, 5.719532561253777, 5.737868329843457, 5.783798133354622, 5.8263548788686235, 5.9286885639689775, 6.057977563766554, 6.157493417078889, 6.192879267604603, 6.24104631856513, 6.3048819154220235, 6.3756018028054156, 6.425589628026048, 6.534221802785144, 6.592416570958838, 6.646897434875383, 6.772840960333504, 6.787320905747088, 6.814181612163235, 6.850336997723774, 6.888091431267559, 6.921786636655232, 7.007076861971698, 7.049672108888227, 7.096484911539855, 7.098430335836652, 7.188448168146002, 7.419246226697969, 7.454890763834636, 7.525319469768683, 7.542468277747585, 7.704905947177186, 7.806832752239175]
H Index: [20, 21, 28, 19, 27, 18, 25, 41, 2, 42, 26, 3, 10, 9, 13, 8, 15, 23, 35, 34, 22, 16, 1, 29, 32, 44, 43, 11, 6, 14, 12, 24, 5, 36, 33, 17, 7, 30, 31, 38, 4, 45, 48, 37, 39, 46, 47, 40]
Global Index: [47, 48, 73, 46, 72, 45, 70, 98, 8, 99, 71, 9, 25, 18, 28, 17, 36, 59, 92, 91, 58, 37, 7, 80, 83, 101, 100, 26, 14, 35, 27, 60, 12, 93, 90, 38, 15, 81, 82, 95, 11, 102, 105, 94, 96, 103, 104, 97]
Dummy atom index = 38
Sum Hydrop. =0.04521863992112241 Individual = [0.0035821988400720514, 0.003181091473320405, 0.003011146357888032, 0.002971529722632668, 0.002414858269527628, 0.0025188861959335837, 0.0022051611553222604, 0.002395466284794599, 0.0020484094240943436, 0.0002123290799153354, 0.0016085074311264118, 0.0013948273733250809, 0.0010986187439368058, 0.0010603720532829071, 0.0009957931922336264, 0.00011460293830886452, 0.0008754049870029692, 0.0005726357638774284, 0.0006235557191801608, 0.0005083525665224881, 0.0005345614257445004, 0.000479965850645747, 0.0004909132602480163, 0.0004246379947228526, 0.00046175211153782987, 5.3210230346138675e-05, 0.00042592160518657284, 0.00041307117470089165, 0.0004083975844227961, 0.0003983103820942698, 0.00031963146936149993, 0.0003496353793645418, 0.00031729761223043873, 0.0003254205369723015, 0.0002811861497577831, 0.00026749444743404555, 3.6022047990449784e-05, 0.0002836310986649054, 0.00025497790643481987, 0.0002798326474028105, 0.0002531291313368726, 0.00027217451788290927, 0.00025576585223558394, 0.00024842108146844996, 0.00021862242620471163, 2.9097879984362644e-05, 0.00022263825253901042, 0.00021766110494963824, 0.0001963712709715113, 0.00021331928326534823, 0.0001861550914821833, 0.00017362118456989406, 0.00016921265764437433, 2.086573945830733e-05, 1.9086685701885067e-05, 1.5725617634782412e-05, 1.4189282948687384e-05, -0.0002097126301041658, -0.00015943073755969294, -0.0001590699222765501, -0.00015699670540857214, -0.00012299413048041195, -0.00012148275165487529, -8.431931955968201e-05, 0.0008336085270459458, -7.256346930789615e-05, 0.0007620234814815862, -6.73224368380041e-05, -5.8348835600688175e-05, -5.249049923298594e-05, 0.0004589309024835013, -4.026047646288355e-05, 0.00042354212359085826, -3.521868908466595e-05, -3.4578811601462055e-05, -3.3026534347464976e-05, -3.165051955185096e-05, -2.857181889988589e-05, -2.5106628102278687e-05, -2.2728417772517145e-05, -2.1938216798324626e-05, -2.090656290557403e-05, 0.0002151718683488624, 0.0002004805448904428, -1.738347104568275e-05, 0.00017107417067402727, -1.4712432312638803e-05, -1.3932329572118612e-05, -1.22836422945424e-05, 0.0001328204353871983, -1.1786182027753753e-05, -1.1367659582900269e-05, -1.0946480746563741e-05, 0.00011610934486098663, -9.71851258854357e-06, -9.313242704008924e-06, 9.749821794394918e-05, 9.730872692184933e-05, 8.893189425773067e-05, 7.060301049629815e-05, 6.813072240382819e-05, 6.349743695114731e-05, 6.24178151689825e-05, 5.305945433333524e-05, 4.791776246772385e-05]
-------------
C: [3.4780240754262417, 3.5845294790019286, 3.584737546658668, 3.733472127200348, 3.79116931351954, 3.833081936402385, 3.9824838018098307, 4.067364758490228, 4.287845354267816, 4.3655368269227175, 4.441838072374874, 4.490860892519889, 4.56245285824229, 4.691482030965322, 4.711649790858125, 4.760384554030364, 4.8149556858003875, 5.014331925934461, 5.028791488369075, 5.196863108835271, 5.214877846151255, 5.293502149046861, 5.311518938873223, 5.604898576451674, 5.620985091280074, 5.625100409700567, 5.6622100160574185, 5.699125821685527, 5.7101868968702805, 5.714713612334156, 5.742647394258819, 5.78004276580519, 5.847323301989021, 5.851307542471825, 5.8639745054759524, 5.873935863350038, 5.922157479874019, 6.063280914460291, 6.083510245790827, 6.084659235514078, 6.104786784620425, 6.2191547341197415, 6.219680306716391, 6.22351417277586, 6.231613626763252, 6.234810244521166, 6.291753694270608, 6.308528820644464, 6.313721019974927, 6.432907310638297, 6.456714334533496, 6.464416667635714, 6.635736163136241, 6.639340459459737, 6.737985734845257, 7.005134312548691, 7.0185350269527405]
C Index: [45, 41, 42, 44, 40, 43, 23, 26, 27, 30, 31, 25, 34, 24, 38, 33, 22, 35, 55, 36, 56, 32, 52, 48, 5, 15, 53, 54, 12, 4, 46, 39, 9, 51, 57, 2, 11, 49, 1, 10, 37, 47, 20, 19, 14, 6, 50, 13, 3, 28, 17, 16, 21, 18, 8, 29, 7]
Global Index: [69, 65, 66, 68, 64, 67, 40, 43, 44, 51, 52, 42, 55, 41, 62, 54, 39, 56, 87, 57, 88, 53, 84, 76, 5, 24, 85, 86, 21, 4, 74, 63, 16, 79, 89, 2, 20, 77, 1, 19, 61, 75, 33, 32, 23, 6, 78, 22, 3, 49, 30, 29, 34, 31, 13, 50, 10]
H: [3.9066570252802935, 4.072170680257512, 4.307600503925222, 4.314568158560308, 4.458252505800606, 4.680699701343936, 4.765365019040447, 4.998029125227651, 5.043015379765234, 5.0879896897094845, 5.098344714964883, 5.172544271325295, 5.317305059954809, 5.379243290602266, 5.4076974913053535, 5.500835324931067, 5.690866948822538, 5.709353327766684, 5.855369962558649, 5.878615827354332, 5.960971946926531, 6.111715244393277, 6.151612593430199, 6.224486603926222, 6.288424110553885, 6.380157935754628, 6.386184960468652, 6.47673092537068, 6.488438215750949, 6.504326313883487, 6.605235148121879, 6.6722334668719325, 6.686513374315678, 6.74191132512337, 6.8494526796606445, 6.866001128303849, 6.883494385516971, 6.954326812202614, 6.959478763800249, 7.090039027084081, 7.095478803796575, 7.2742172821594036, 7.321186945078017, 7.594862145566134, 7.608437770900494, 7.620987451994181, 7.843600806741002, 7.857015531408848]
H Index: [28, 25, 27, 20, 26, 21, 23, 19, 41, 34, 22, 42, 18, 44, 35, 43, 29, 13, 10, 2, 24, 32, 3, 33, 45, 16, 15, 30, 36, 9, 8, 48, 46, 12, 31, 11, 1, 47, 38, 17, 14, 6, 37, 39, 5, 7, 40, 4]
Global Index: [73, 70, 72, 47, 71, 48, 59, 46, 98, 91, 58, 99, 45, 101, 92, 100, 80, 28, 25, 8, 60, 83, 9, 90, 102, 37, 36, 81, 93, 18, 17, 105, 103, 27, 82, 26, 7, 104, 95, 38, 35, 14, 94, 96, 12, 15, 97, 11]
Dummy atom index = 39
Sum Hydrop. =0.04493685133369927 Individual = [0.003694786474967451, 0.0030148684799286424, 0.003320811875805518, 0.0028618684433589247, 0.0024520302939652202, 0.002590536259280193, 0.0020250651735415734, 0.0020494717604304224, 0.0016439493486393433, 0.0001886477576939251, 0.001279216286114285, 0.001341899232369578, 0.0012491883024560407, 0.0010979719646237033, 0.00013345556771542707, 0.0010248664245301306, 0.0008808481758707636, 0.0007216274722784795, 0.0007836093602674244, 0.0006012301801458616, 0.0006505539777861395, 0.0006013637366600815, 0.0005361007052887031, 0.0004404529120764024, 0.0003934113962008509, 0.00043164423112138995, 0.00037752279434617763, 0.00040084559284071656, 0.0003964362406448728, 0.00039464574217989664, 0.00034834507073000363, 4.58500193803496e-05, 4.286669076088781e-05, 0.00034425910191773003, 0.00033992588688639525, 0.00033655657280910566, 0.0002911048423932773, 0.00027850087609319733, 0.0002477278388361994, 0.00024744336555494815, 3.3136374370131306e-05, 0.00021630430402754357, 0.00023817883828535755, 0.0002372674407256071, 0.0002353534655469272, 0.0002129443195082676, 0.00022161650326299923, 0.00021792986676353183, 0.00021680126395609792, 2.3867341894315763e-05, 0.00017056673551098684, 0.00016925802024842412, 0.0001571131044431203, 0.0001565478415578144, 1.7591795918153492e-05, 1.3467563284963037e-05, 1.328829217888086e-05, -0.00021582165980214363, -0.00018289985499877698, -0.0001445331566388167, -0.00014352959979884326, -0.00012431975763148987, -9.952508684894395e-05, -9.14456149850012e-05, -7.246330658246693e-05, 0.0007599887511963685, -6.6229087400468e-05, -6.554682206160379e-05, 0.0006676571147989895, -5.2657273801358865e-05, 0.0005429817562354422, -4.810624255596949e-05, 0.0004808155318826163, -3.624286353942949e-05, -3.5579019174678724e-05, -3.074537204443098e-05, -3.0038912229663244e-05, -2.7664154005831587e-05, -2.3793066113744258e-05, -2.286247338160013e-05, -2.1255652052344694e-05, 0.0002187424261501622, -1.8191446427710587e-05, -1.8082135870115205e-05, -1.651680780855888e-05, -1.6324568241308806e-05, 0.00017626573212545357, 0.00015934694415737087, 0.0001490207480645666, 0.00014690786734954908, -1.2669507443153534e-05, -1.1377716655775139e-05, -1.1190982438253342e-05, -1.0996918061863038e-05, 0.00011239193696234577, 0.00011181438817232727, -8.94478262858276e-06, -8.896257111989547e-06, 8.16222363975477e-05, 7.787710963841933e-05, 5.92316996898682e-05, 5.843302584152794e-05, 5.7704292253214354e-05, 4.618791598632385e-05, 4.557245515872719e-05]
-------------
C: [3.0212064326189654, 3.1049637144169706, 3.300681137480319, 3.400464898693716, 3.472808729439724, 3.5699037356428893, 3.6343746311996576, 3.6510209805827873, 3.8326541364656457, 3.8966689813640416, 4.0991824108618795, 4.389492129625796, 4.458685187141782, 4.4749405933003255, 4.610138047580732, 4.665352069467292, 4.698555867209867, 4.7722155758810905, 4.911442284945733, 4.950733612164033, 5.020906434319395, 5.210274779843818, 5.2977580979940395, 5.303228077726228, 5.355017117996761, 5.441745972916229, 5.480902589721401, 5.577784707475209, 5.589641352801247, 5.727977439876334, 5.760101163199765, 5.782132441293737, 6.000151951016514, 6.171304010377515, 6.174013681669457, 6.228024397752292, 6.290758626689062, 6.452521560083116, 6.5668605288475, 6.61505803243378, 6.66181849655716, 6.730789196847616, 6.731430228698023, 6.833412415841417, 6.83552625494611, 6.8424680207380995, 6.8434576243185825, 6.904503952118198, 6.964335407396443, 7.07094065445524, 7.139053100885292, 7.1774196052722905, 7.183588589617326, 7.19726045179142, 7.2359085344338645, 7.519641219968675, 7.851593597775951]
C Index: [42, 40, 45, 43, 31, 34, 41, 44, 38, 33, 35, 36, 32, 55, 23, 52, 30, 26, 56, 39, 27, 54, 46, 48, 25, 37, 53, 24, 57, 49, 22, 51, 15, 11, 50, 47, 12, 28, 14, 5, 4, 10, 20, 13, 9, 2, 17, 19, 1, 21, 6, 3, 16, 29, 18, 8, 7]
Global Index: [66, 64, 69, 67, 52, 55, 65, 68, 62, 54, 56, 57, 53, 87, 40, 84, 51, 43, 88, 63, 44, 86, 74, 76, 42, 61, 85, 41, 89, 77, 39, 79, 24, 20, 78, 75, 21, 49, 23, 5, 4, 19, 33, 22, 16, 2, 30, 32, 1, 34, 6, 3, 29, 50, 31, 13, 10]
H: [3.417104196131973, 3.8071346914402913, 3.8451227511284576, 4.00384105747858, 4.3401485661995665, 4.374828709960042, 4.4529615977081844, 4.485641625404698, 4.676545754730011, 4.872766123972738, 5.19942914823772, 5.214882398493649, 5.300755634646349, 5.3250363685727535, 5.331058022126053, 5.423538376583062, 5.486837396797351, 5.706255338006773, 5.840457191067981, 5.876231316837029, 5.999348656355926, 5.999412351668646, 6.066049852228941, 6.1445477707169776, 6.20202253564874, 6.273734706456273, 6.306075635107081, 6.501018117072731, 6.792063543503122, 6.793361362513748, 6.834744940906469, 6.964810925492554, 6.980364684019063, 7.105764658059174, 7.131175497727552, 7.322851921816704, 7.415911334417608, 7.4223650708954745, 7.4725270239425, 7.588651902417086, 7.671392619956135, 7.696212228440708, 7.793165524883148, 8.006092031046228, 8.070465882967374, 8.381394230289288, 8.468112277818422, 8.664737323708877]
H Index: [25, 23, 28, 26, 22, 27, 34, 44, 43, 20, 35, 24, 21, 41, 29, 45, 42, 33, 19, 46, 48, 13, 30, 32, 18, 47, 36, 10, 31, 2, 16, 38, 12, 3, 15, 37, 11, 17, 9, 8, 1, 14, 39, 40, 6, 7, 5, 4]
Global Index: [70, 59, 73, 71, 58, 72, 91, 101, 100, 47, 92, 60, 48, 98, 80, 102, 99, 90, 46, 103, 105, 28, 81, 83, 45, 104, 93, 25, 82, 8, 37, 95, 27, 9, 36, 94, 26, 38, 18, 17, 7, 35, 96, 97, 14, 15, 12, 11]
Dummy atom index = 40
Sum Hydrop. =0.056792329518762286 Individual = [0.005834218992241228, 0.004870136531408946, 0.004411724707401945, 0.003992756888893525, 0.003371227619707092, 0.0033704393438239973, 0.0028682757209137996, 0.00310783350115758, 0.00032142500506626936, 0.0024309396241883685, 0.001802011021547512, 0.001347961642126664, 0.0013857779150197422, 0.001363433631880086, 0.0010810660512017272, 0.0010229939948834515, 0.00013521451536160266, 0.0010128126522887964, 0.0008811781638748683, 0.00010507609217021472, 0.0007898125866747639, 0.0006535554235096924, 0.0005435288936314, 0.0005955432664675276, 0.0005654856964387643, 6.430725235831089e-05, 0.00045256815725989644, 0.00045255866995939345, 0.00044722452732845984, 0.0003894457909783639, 0.00034231788788842204, 0.00036891625913990377, 0.00029664916221947615, 0.00022690625416134746, 0.00024930783995517013, 0.00021439424093928853, 0.00022183713641517525, 2.3403763133732255e-05, 0.00016831573502425318, 0.0001455883229262042, 0.00015306820754831194, 0.0001296776516490609, 0.00014277527503207005, 0.0001289325892388798, 1.595691268071786e-05, 0.00012777029722376142, 0.00011586008982750652, 0.0001200848009106793, 0.00010266852121256768, 0.00010167296787570643, 8.621014519417758e-05, 9.140338513908567e-05, 8.245497408435444e-05, 1.1113470547749875e-05, 8.621063838082086e-05, 8.050845904620912e-06, 5.776654965245918e-06, -0.00035213169766989315, -0.00023840591626333364, -0.00022951920128620883, -0.00019583420049222602, -0.00013990461607572824, -0.00013513587218205524, -0.00012497926520165566, 0.0013270017942933266, 0.0010963845328873323, -8.213328207396856e-05, -5.924493520721314e-05, -5.833644603143929e-05, -5.3535972344039074e-05, 0.0005732274840809947, -5.193803745840202e-05, 0.0005194552338898011, 0.0004875932796867299, -3.568941352373818e-05, -3.120730655321317e-05, 0.0003303285268134152, 0.00029206324039751094, -2.6620912502089473e-05, -2.4904775958372305e-05, -2.3024564601505812e-05, -2.17385440236182e-05, 0.00022197933798971296, -1.9590285542019842e-05, -1.6120493097597976e-05, -1.2049773937187013e-05, -1.2034145655032035e-05, -1.1546293795393083e-05, 0.00011121976250403431, -9.981613582278315e-06, -8.80522050511732e-06, -8.584291344259705e-06, 7.774755394593131e-05, -6.457214988118406e-06, -6.415676009193176e-06, 6.693968485746255e-05, 5.960068751322566e-05, -5.001394746866484e-06, -4.878789883510034e-06, 4.857716123396068e-05, 3.926081630178285e-05, 3.681307676434298e-05, 2.6975384948005345e-05, 2.47346905517641e-05, 2.031951365595739e-05]
-------------
C: [3.7753044463625565, 3.920061863505624, 4.040860856990358, 4.071166658678997, 4.24028940591243, 4.333879100907084, 4.338965498108463, 4.422767779990633, 4.546969993038025, 4.575888128641225, 4.584303863083824, 4.651524208508113, 4.738607779276125, 4.758577294288593, 4.789509148937582, 4.8053652969936715, 4.869948607136966, 4.908231086514531, 4.935021221650769, 5.0025950111108, 5.017919129544325, 5.11288594820597, 5.156078577058638, 5.205853970246541, 5.287944543491585, 5.30769915002914, 5.351862027269922, 5.359054614162601, 5.398028060388479, 5.408793045674995, 5.510303196010768, 5.54933835048952, 5.613659622528886, 5.6285210169429165, 5.661987688912224, 5.667667550673114, 5.696794277678251, 5.718249764800886, 5.787053107146411, 5.990915460816689, 6.087020899291771, 6.141654107377149, 6.211924877674473, 6.225568781348091, 6.401890352712879, 6.426837468166645, 6.481024273860723, 6.547552736937529, 6.576068138937382, 6.586343428021434, 6.610629039825383, 6.6514590316258415, 6.663323193006808, 6.756295848237416, 6.765804047801588, 6.988713799227015, 7.3894678698965075]
C Index: [20, 19, 51, 17, 47, 48, 16, 21, 18, 24, 27, 50, 29, 2, 46, 44, 6, 49, 43, 22, 23, 5, 41, 7, 3, 33, 25, 26, 40, 36, 4, 45, 1, 31, 42, 9, 30, 37, 32, 34, 35, 38, 13, 10, 12, 14, 54, 52, 8, 57, 15, 11, 55, 53, 56, 39, 28]
Global Index: [33, 32, 79, 30, 75, 76, 29, 34, 31, 41, 44, 78, 50, 2, 74, 68, 6, 77, 67, 39, 40, 5, 65, 10, 3, 54, 42, 43, 64, 57, 4, 69, 1, 52, 66, 16, 51, 61, 53, 55, 56, 62, 22, 19, 21, 23, 86, 84, 13, 89, 24, 20, 87, 85, 88, 63, 49]
H: [3.9890229997007967, 4.1806100121296135, 4.2267763345468365, 4.6674848563407165, 4.694068614069272, 4.709018206073363, 4.847910304308259, 4.872394202893072, 5.040033142405372, 5.094526485596729, 5.193021715521665, 5.230238074322781, 5.289596426488756, 5.3882553625064515, 5.592449467864876, 5.638392682358802, 5.741798809816733, 5.758462518991894, 5.9838876214040875, 5.995625686767951, 6.080631652367133, 6.102613483958331, 6.124776957256572, 6.157367316715305, 6.187244243747721, 6.204783817588995, 6.276993835859251, 6.302921685228059, 6.384029660397806, 6.5401053073833255, 6.573819355586929, 6.591417030839905, 6.619325574823908, 6.644852841032574, 6.683990514911446, 6.711165469678368, 6.748048764553791, 6.863054522338181, 6.997117819756875, 7.048947526153012, 7.058334742292241, 7.168365230541717, 7.228505761111486, 7.346592506668363, 7.648015837841317, 7.759723699279802, 8.05715543177305, 8.163266622422412]
H Index: [16, 32, 15, 29, 18, 21, 3, 27, 17, 26, 31, 14, 39, 22, 30, 40, 1, 5, 19, 20, 4, 2, 28, 8, 42, 24, 48, 25, 11, 23, 47, 9, 41, 43, 33, 10, 12, 36, 34, 44, 13, 35, 7, 6, 46, 45, 37, 38]
Global Index: [37, 83, 36, 80, 45, 48, 9, 72, 38, 71, 82, 35, 96, 58, 81, 97, 7, 12, 46, 47, 11, 8, 73, 17, 99, 60, 105, 70, 26, 59, 104, 18, 98, 100, 90, 25, 27, 93, 91, 101, 28, 92, 15, 14, 103, 102, 94, 95]
Dummy atom index = 41
Sum Hydrop. =0.03886107669799927 Individual = [0.002744619347799661, 0.002374732921579696, 0.002104516992597612, 0.0018532095497051327, 0.0015648598705569252, 0.0015699876289665064, 0.0014178195852957648, 0.0014364561316394721, 0.0012686798194502921, 0.0012325173599108312, 0.001222188345198641, 0.0011427328518613315, 0.00012990593451900497, 0.0010267202990716972, 0.0009035503320689451, 0.0009797885887092332, 0.0008337156176349546, 0.0008840123499437795, 0.0008606439584397523, 0.0007301470514413954, 0.0007190434850200575, 0.0006539003809127741, 0.000626257975870479, 8.141539777309776e-05, 0.0006047151834871028, 0.0005928864932021681, 0.00056727267266944, 0.0005632071530080198, 0.0004916725297298874, 0.00048640806894221974, 0.00048415200802157473, 0.0004656171682328229, 0.0003963039006305829, 0.00039045782010693677, 0.00041601213506577855, 5.130308241965521e-05, 4.98303436899716e-05, 4.877259720211376e-05, 0.00036710540446029436, 0.00029940185232676627, 0.00024685967703080044, 3.1936970220570206e-05, 0.0002400331987510114, 0.00021492135788793977, 0.00019850449939870472, 0.00019361364474478385, 0.00018340151963964745, 0.00015575561811167219, 2.0683788894516297e-05, 0.000165068195002159, 0.00016110769908384064, 0.00014038405737325265, 0.00015283805955471788, 0.00012641183606203492, 0.00013795093407838592, 1.3690533217682969e-05, 9.170121329375073e-06, -0.00019875768971254902, -0.00016410384534106884, -0.00015669999356833923, -0.00010084902399087305, -9.820339909811424e-05, -9.67462176211866e-05, -8.420035509806971e-05, -8.216383485417336e-05, -6.948259575779043e-05, -6.579757327076485e-05, -5.9625761901120664e-05, -5.7447493180675085e-05, 0.0005939069073157781, -4.905068152243371e-05, -3.9991221798774256e-05, 0.0004190232172646702, -3.4443167023738294e-05, 0.0003716143016531421, -2.7037419703641404e-05, -2.6721908074600524e-05, 0.0002692626667535944, -2.40106134314724e-05, -2.3484308755709318e-05, 0.0002493734806922364, 0.0002420331664303147, -2.1678600573069525e-05, 0.00022125705624658528, -1.965216985945384e-05, -1.8121150327665804e-05, -1.550254393785497e-05, 0.0001644324185472283, 0.00016156410211598036, 0.0001571174220666729, 0.0001531574030773549, -1.3425003860466918e-05, -1.3065092424925592e-05, -1.2591987239721332e-05, -1.1224006484399048e-05, -9.815783222894139e-06, 0.00010224495825888341, -9.232913928359233e-06, -8.270907295949857e-06, 8.543990392749829e-05, 7.59235190425379e-05, 5.616552722017382e-05, 5.022913880584059e-05, 3.730635099452707e-05, 3.355052090263749e-05]
-------------
C: [3.6731251072285844, 3.677473599855023, 4.003453466425032, 4.011291131040851, 4.258765373051375, 4.262506053299026, 4.323706548240047, 4.345187391678142, 4.3846412457825155, 4.417612159868269, 4.440512382688886, 4.525779017321204, 4.691558786612605, 4.723021403697531, 4.7335548845255, 4.800266442679947, 4.814878498974821, 4.832048453917524, 4.850369279528836, 4.994494335453473, 5.081269984632409, 5.0832790154740755, 5.131807636639101, 5.161577643109656, 5.168326150939837, 5.191576513898454, 5.252904018758343, 5.295321591925602, 5.311262482003352, 5.3453445143153, 5.740213565857222, 5.741106509532179, 5.746383558314261, 5.785497428247762, 5.814604013020069, 5.8671733685866085, 5.888174911502351, 5.928811342672959, 6.02537319138291, 6.0939499058111934, 6.1227937789546285, 6.1330772510311835, 6.159788104438327, 6.183673115868507, 6.331296496140446, 6.379923101521063, 6.403596264106987, 6.451914794925918, 6.531131973021735, 6.59439156025367, 6.602642550850717, 6.711047001129538, 6.72718003486385, 6.778761670853464, 6.786787540379946, 7.238040099503538, 7.270280147030555]
C Index: [48, 51, 46, 47, 49, 50, 33, 20, 43, 36, 17, 44, 31, 19, 40, 37, 29, 32, 21, 41, 34, 27, 42, 16, 35, 18, 45, 24, 38, 23, 26, 2, 22, 30, 6, 52, 54, 25, 5, 55, 7, 3, 39, 57, 4, 56, 1, 53, 9, 13, 14, 10, 11, 12, 15, 8, 28]
Global Index: [76, 79, 74, 75, 77, 78, 54, 33, 67, 57, 30, 68, 52, 32, 64, 61, 50, 53, 34, 65, 55, 44, 66, 29, 56, 31, 69, 41, 62, 40, 43, 2, 39, 51, 6, 84, 86, 42, 5, 87, 10, 3, 63, 89, 4, 88, 1, 85, 16, 22, 23, 19, 20, 21, 24, 13, 49]
H: [3.9773895824075027, 3.984959742781873, 4.458370396866252, 4.463141003174306, 4.484297929500266, 4.724820568916858, 4.9116604504684505, 4.917784023923111, 5.092734414080415, 5.134580125891913, 5.306708405507887, 5.312700247201829, 5.373465965230341, 5.388072776345585, 5.497784152334831, 5.675578091786172, 5.689192212832248, 5.70600983400286, 5.728948316069182, 5.8107624459319, 5.843953130774751, 5.85160264578598, 5.919112487038481, 6.040930863989422, 6.234772140065143, 6.251070202765722, 6.2954079861326795, 6.395380027147176, 6.514293771890139, 6.539745928754447, 6.552675493999902, 6.688757677744925, 6.70674964634198, 6.80534934003725, 6.827122683159629, 6.84165805451206, 6.843502457854739, 6.868502849130458, 6.93424852577685, 6.951191345362524, 7.06198828992428, 7.1426620472676055, 7.156558004957655, 7.414794521800328, 7.9006085233034895, 7.933607983498036, 8.011903891030492, 8.044449546913054]
H Index: [29, 32, 22, 16, 26, 27, 30, 31, 15, 21, 24, 17, 48, 39, 18, 47, 40, 23, 25, 43, 3, 14, 28, 33, 44, 20, 42, 34, 1, 36, 19, 41, 5, 46, 11, 12, 2, 35, 45, 4, 8, 10, 13, 9, 7, 37, 6, 38]
Global Index: [80, 83, 58, 37, 71, 72, 81, 82, 36, 48, 60, 38, 105, 96, 45, 104, 97, 59, 70, 100, 9, 35, 73, 90, 101, 47, 99, 91, 7, 93, 46, 98, 12, 103, 26, 27, 8, 92, 102, 11, 17, 25, 28, 18, 15, 94, 14, 95]
Dummy atom index = 42
Sum Hydrop. =0.040966966830500356 Individual = [0.003039891224515252, 0.0030267009795666706, 0.0019830423778622332, 0.0019675607061128944, 0.0016924572509372396, 0.0016861381357917184, 0.0015860399187653535, 0.0015523337580313258, 0.0014922806611996223, 0.0013105849004335474, 0.0012809132545291684, 0.0012958512605840793, 0.0009965329239393541, 0.0010638830153544155, 0.000955549034739277, 0.00012213804781813922, 0.00012036633549120688, 0.0009539904545273525, 0.0009366716931994497, 0.0007360857571765124, 0.0007435471163789961, 0.0007420548068398424, 0.000706903725205433, 0.000622823593498506, 0.0006186346141788168, 0.0006658907417664581, 0.0006262803415591513, 0.0006002705844574391, 7.327034122084305e-05, 0.0005182700564901714, 0.00038470951912062594, 0.00038436614851695126, 0.0003470460246336242, 4.560060385879522e-05, 0.00032415991287136273, 0.0003075592023586135, 0.00033179828470478564, 0.0003185854656180353, 0.00026255688778261164, 0.0002700891835136372, 3.2545028028380555e-05, 0.0002597253868844266, 3.1363044804820455e-05, 0.0002469112607138651, 0.00021302416786734218, 0.00020291334542070266, 0.00017987185868737523, 0.0001713873450124419, 2.1634438373491654e-05, 0.00016374503596291252, 0.00016239953569921483, 0.00013226321156592654, 0.00013014652491034786, 0.00013617494899648356, 0.00013508640073939688, 1.0669383530610886e-05, 1.033088797434265e-05, -0.00020108342273899584, -0.00019956693624535775, -0.0001243051023066647, -0.00012371350386510552, -0.00012112360018501932, -9.522941488406796e-05, -7.900009005443584e-05, -7.851780536000337e-05, -6.591559294592986e-05, -6.321422259989783e-05, -5.3218231624946495e-05, -5.290030982553772e-05, 0.0005461278176718815, 0.0005382086097835814, -4.3961985322131525e-05, 0.0004037278127527333, 0.00039826865855163034, -3.56981764932836e-05, -3.488863483671125e-05, 0.0003526783902762028, -3.109839817058155e-05, -3.086141805400481e-05, -2.884673906315838e-05, -2.5538281937819636e-05, 0.00023079892382355527, -2.0698044766773317e-05, 0.0002172200783934294, -1.791663150304896e-05, -1.590789729237862e-05, -1.5508116222059447e-05, -1.5308893727044414e-05, 0.00014657853122240888, 0.00014396487778226477, 0.00013044734670772818, -1.163463888953307e-05, -1.1466748225241171e-05, -1.1445618408427258e-05, -1.1163020715213243e-05, 0.00011467138155839965, 0.00011274489120278093, 0.00010092026220882039, -8.486251603587958e-06, -8.369142565924136e-06, 7.091801489700834e-05, 4.3628494853775046e-05, 4.221227385426848e-05, 3.903329972223668e-05, 3.778338534893535e-05]
-------------
C: [3.1939298748449083, 3.334048804067573, 3.349209811786606, 3.431552444461515, 3.566380194217166, 3.7660898298865932, 3.7869775360194233, 3.8996667623119476, 3.9225929522183405, 4.011947563252923, 4.0250290471052255, 4.086714847708932, 4.2040904781996575, 4.212783077111857, 4.286183264462966, 4.458005808621014, 4.549626702358141, 4.755291226575004, 4.9861711241078694, 5.030387762484185, 5.050582468871537, 5.090354234624917, 5.1372020723698775, 5.289328863960506, 5.389235420322044, 5.416413198650887, 5.430588316183697, 5.589899582806368, 5.645580123832277, 5.715208586677559, 5.828027416098391, 5.924162949817362, 5.9354862717165675, 6.0379753177636655, 6.040736374179498, 6.094432652674677, 6.134389386841689, 6.259443841566525, 6.293399355917099, 6.558650101456723, 6.60750941846331, 6.728785183215955, 6.775163482920755, 6.919937677925883, 6.947517196347526, 6.961942363414802, 7.0190395097327976, 7.062314900914522, 7.098168032247379, 7.100743195914797, 7.19772112075163, 7.245613560614365, 7.2745459990507895, 7.287641006003276, 7.301958439449212, 7.428924163908297, 7.970807788178998]
C Index: [48, 46, 33, 36, 51, 49, 31, 32, 37, 43, 47, 50, 40, 34, 35, 44, 38, 42, 17, 41, 20, 29, 45, 52, 39, 54, 21, 19, 55, 27, 23, 57, 18, 16, 30, 24, 56, 26, 53, 22, 25, 2, 6, 14, 11, 5, 3, 7, 13, 15, 4, 1, 12, 28, 10, 9, 8]
Global Index: [76, 74, 54, 57, 79, 77, 52, 53, 61, 67, 75, 78, 64, 55, 56, 68, 62, 66, 30, 65, 33, 50, 69, 84, 63, 86, 34, 32, 87, 44, 40, 89, 31, 29, 51, 41, 88, 43, 85, 39, 42, 2, 6, 23, 20, 5, 3, 10, 22, 24, 4, 1, 21, 49, 19, 16, 13]
H: [3.4429407337794147, 3.566628287294199, 4.032822303126458, 4.035134226970149, 4.3558381180629, 4.4522989543787235, 4.510833774765221, 4.7861919673717255, 4.817600277320335, 4.83753293260389, 4.933975984924446, 5.037444900654129, 5.091851405558646, 5.283453023001693, 5.482436141954259, 5.505448410763086, 5.6641703833191865, 5.705521332295412, 5.7487071378434464, 5.8786811864812565, 5.9027208641190905, 5.911204955728138, 6.000520764269781, 6.011107470676201, 6.160705588267649, 6.357435097406644, 6.358854947923735, 6.5560912205320125, 6.56712393169516, 6.64862617267502, 6.705758920404686, 6.841150639385586, 6.903874816193113, 7.076751213723961, 7.215829903326482, 7.341920261114286, 7.379930457462763, 7.390030826890866, 7.6436352900133615, 7.668186947041789, 7.680852835561353, 7.852645474482894, 7.935144461186424, 7.989379509142212, 8.049062993721906, 8.277172048869948, 8.636430659628406, 8.741211955969455]
H Index: [29, 22, 26, 32, 30, 24, 48, 27, 47, 31, 23, 43, 16, 25, 44, 33, 39, 21, 17, 28, 34, 40, 15, 46, 45, 18, 36, 42, 14, 20, 35, 3, 41, 12, 19, 1, 11, 13, 2, 5, 10, 4, 37, 8, 38, 9, 7, 6]
Global Index: [80, 58, 71, 83, 81, 60, 105, 72, 104, 82, 59, 100, 37, 70, 101, 90, 96, 48, 38, 73, 91, 97, 36, 103, 102, 45, 93, 99, 35, 47, 92, 9, 98, 27, 46, 7, 26, 28, 8, 12, 25, 11, 94, 17, 95, 18, 15, 14]
Dummy atom index = 43
Sum Hydrop. =0.054484612341894806 Individual = [0.00490873840967983, 0.003873028976791409, 0.004202741409081144, 0.0035132208642297286, 0.0033823361736526163, 0.002770026842846217, 0.0024623302318232732, 0.0024236631118418196, 0.0002937783099109225, 0.0021662537157642017, 0.0019407153441552577, 0.0020101955238517434, 0.0016225438705912009, 0.001772097305499311, 0.0014946654788714265, 0.001386719702648681, 0.000156928719266398, 0.0010300997209609602, 0.0007422379218691389, 0.0007101336578513724, 0.0007667184471334349, 9.138342831639647e-05, 0.0007031006454490719, 0.000548129789652602, 6.77742932114938e-05, 0.0005318114030413591, 0.0005243260918184835, 0.0004471090554462719, 0.00042289418570142076, 0.00039445045099883395, 0.00031983765828307866, 0.00032006982328632407, 0.00031646601171221914, 0.00025926887419699913, 3.5328217704656715e-05, 0.00026995883027377545, 0.00025938481539028837, 0.00022889383146941972, 0.00020082655184514738, 0.0001540366966313086, 0.00016161107887242547, 0.00014315342201576202, 0.00012404910339948458, 0.00011824567381790241, 0.00010440982382372538, 0.00010291450570782829, 0.00010708925116868708, 1.2719083281918803e-05, 9.894202646355661e-05, 9.86875623358377e-05, 8.956646710109354e-05, 7.749608389404443e-05, 8.294320699600403e-05, 1.015308277648237e-05, 7.325031336059182e-05, 8.815347383425917e-06, 5.127460969897808e-06, -0.0003431503567836487, -0.0003032268349338111, -0.00019024013446081593, -0.00018980082178233395, -0.0001377267052447538, -0.00012506210932308333, 0.0012939893401399689, -8.956077772111135e-05, 0.0009521463334235677, -8.507868296570762e-05, -7.72566856713134e-05, 0.0007642340659002672, -6.597382268111126e-05, -5.447034471269445e-05, 0.000489744031501974, -4.36263371956148e-05, 0.00040835979184208063, -3.5715619373544904e-05, -3.420604233827843e-05, -3.0036948976745088e-05, -2.9323480541200236e-05, 0.0003189754230704494, -2.6591421894118484e-05, 0.0002886490358227223, 0.00024854239226696433, -1.8609539869783163e-05, -1.8583135854289578e-05, 0.0001673734915120461, -1.5089294383795143e-05, -1.390826503398178e-05, -1.3135920786869995e-05, -1.1472568103164308e-05, 0.00011820781218049541, -9.064432412193175e-06, -7.88750245830205e-06, -6.9531109751684165e-06, -6.693781662768837e-06, -6.62651228974974e-06, -5.142164772925672e-06, 5.5043955933653905e-05, -4.954303571773266e-06, 4.57720451742538e-05, 4.214746543840754e-05, 3.9922477164478924e-05, 3.7609475181480195e-05, 2.9938550460566692e-05, 2.0902909342017133e-05, 1.882351819617564e-05]
-------------
C: [3.7765307252264773, 3.926818463760966, 4.028369221539335, 4.0687903197561335, 4.229198180778169, 4.319071311941699, 4.346906731767431, 4.422361748327676, 4.551377514382659, 4.589177188473499, 4.5945291722024395, 4.639273033968586, 4.731635428441418, 4.773791055671928, 4.773903962611287, 4.803666836183709, 4.88342150554879, 4.893823339566718, 4.928992691694068, 5.017090927347238, 5.026750151562525, 5.128581181540332, 5.157451394379546, 5.217017026275391, 5.293717362186463, 5.3004838865391175, 5.364830849251685, 5.369397858532893, 5.391270211856492, 5.393757333776008, 5.524971631830951, 5.549425318159654, 5.61668544734673, 5.6268613987822285, 5.658268686455422, 5.6832837200887685, 5.70206360410953, 5.702435443401087, 5.773171725849386, 5.979941003925313, 6.075063120487649, 6.131902138173744, 6.218370886144745, 6.234636194421476, 6.410443535619463, 6.430364283124014, 6.473222768139283, 6.539514528959506, 6.581425295841524, 6.587585605321703, 6.616284226643003, 6.654668878230631, 6.657946524407226, 6.753937837765794, 6.763193248853346, 6.978308652316867, 7.38989517988768]
C Index: [27, 24, 44, 23, 41, 43, 22, 26, 25, 19, 20, 45, 30, 2, 40, 51, 5, 42, 48, 16, 17, 6, 47, 9, 33, 4, 18, 21, 46, 31, 3, 50, 36, 1, 49, 7, 29, 38, 34, 32, 35, 37, 12, 10, 13, 15, 55, 52, 56, 8, 14, 11, 54, 53, 57, 39, 28]
Global Index: [44, 41, 68, 40, 65, 67, 39, 43, 42, 32, 33, 69, 51, 2, 64, 79, 5, 66, 76, 29, 30, 6, 75, 16, 54, 4, 31, 34, 74, 52, 3, 78, 57, 1, 77, 10, 50, 62, 55, 53, 56, 61, 21, 19, 22, 24, 87, 84, 88, 13, 23, 20, 86, 85, 89, 63, 49]
H: [3.988740544661278, 4.1704169822549355, 4.235594726255636, 4.653194928212326, 4.707417114913393, 4.717122396507884, 4.862731173333824, 4.871692150476332, 5.037531332441121, 5.086413043163549, 5.182571003819958, 5.2351603139815515, 5.283002501161973, 5.374363184887478, 5.578427733296584, 5.631479631412354, 5.752420083589548, 5.770182515003159, 5.996928985871854, 6.004538828256415, 6.090860781526753, 6.116847891513014, 6.12674348878537, 6.172820817108562, 6.190960866873404, 6.192226500590635, 6.261374295669682, 6.298833697290037, 6.390417523362429, 6.530964092422236, 6.55807725159997, 6.606908359684081, 6.624816754293785, 6.634258506035877, 6.674533939913225, 6.721161789626349, 6.749566699407009, 6.858496892463665, 6.99184965863258, 7.039968869347627, 7.063514674033763, 7.1676741739619345, 7.239461660408879, 7.358805943352242, 7.636728591527851, 7.749955074667593, 8.056937341089986, 8.164346337536417]
H Index: [21, 27, 18, 26, 15, 16, 3, 32, 20, 29, 28, 19, 42, 22, 25, 41, 2, 8, 14, 17, 9, 1, 31, 5, 23, 39, 43, 30, 10, 24, 44, 4, 40, 48, 34, 11, 13, 35, 33, 47, 12, 36, 6, 7, 45, 46, 38, 37]
Global Index: [48, 72, 45, 71, 36, 37, 9, 83, 47, 80, 73, 46, 99, 58, 70, 98, 8, 17, 35, 38, 18, 7, 82, 12, 59, 96, 100, 81, 25, 60, 101, 11, 97, 105, 91, 26, 28, 92, 90, 104, 27, 93, 14, 15, 102, 103, 95, 94]
Dummy atom index = 44
Sum Hydrop. =0.03886277618223333 Individual = [0.0027412557418848705, 0.0023587418838748224, 0.0021309707329218316, 0.001857618640362352, 0.0015823126913539238, 0.0015934086532869512, 0.0014066049366910558, 0.0014370394967357027, 0.0012631003908242149, 0.0012162467132171442, 0.0012097547684850353, 0.0011568187798820992, 0.00013081484922394538, 0.001011218242733023, 0.0009177609949947264, 0.0009814541352615848, 0.0008225583807441567, 0.0008968411714677347, 0.000865848047066269, 0.0007196392450849959, 0.0007127215518230692, 0.0006437173831592233, 0.0006253988279353618, 8.051160704479654e-05, 0.0006012343292078637, 0.0005971797954981809, 0.0005599633136968086, 0.0005574117869041778, 0.0004950064305235842, 0.0004937768189107668, 0.00047710208742499273, 0.00046557667635329514, 0.0003951065668273425, 0.00039110636901908537, 0.0004175621657155085, 5.050814786403592e-05, 4.956846191910099e-05, 4.9550033843691025e-05, 0.00037223686805782405, 0.0003027057209709247, 0.00024982929004723197, 3.224994213653221e-05, 0.00023849091883369349, 0.00021298138571390127, 0.00019681389444089207, 0.0001929320079564979, 0.00018483792341520198, 0.00015701265957575658, 0.00016588202181739862, 2.0446930672830946e-05, 0.0001601991763020921, 0.0001399341685067232, 0.00015366203227949672, 0.00012671026820999229, 0.0001383115667969003, 1.383372892131171e-05, 9.166203681995313e-06, -0.00019881383775292665, -0.00016578511479741176, -0.00015532422658578413, -0.0001023004953065447, -9.690124120530868e-05, -9.596533632899668e-05, -8.296163479345427e-05, -8.222153842609734e-05, -6.96566456372784e-05, -6.633358962224418e-05, -6.0252161005842276e-05, -5.716541764266488e-05, 0.000597836025031644, -4.973685750625926e-05, -4.055591785299157e-05, 0.0004219299818429279, -3.407927264901366e-05, 0.00036728440626054794, -2.6687104120659787e-05, -2.6484790229340913e-05, 0.0002665223834077539, -2.3671257569034854e-05, -2.3438171502159738e-05, 0.0002455494112417504, -2.1980343484484734e-05, 0.00024083029402851167, 0.0002247401208492988, -1.973267212683384e-05, -1.800576383153387e-05, -1.5644905712895987e-05, 0.00016704141242679296, 0.00015908054594044495, 0.00015625702655929494, 0.00015478862953518805, -1.3552560590636298e-05, -1.293514018511626e-05, -1.2572887922845524e-05, -1.1275278101439775e-05, -9.86763080125918e-06, 0.00010316711431549005, -9.185211718192158e-06, -8.276624936236422e-06, 8.450894201861342e-05, 7.500187164761175e-05, 5.680307265773295e-05, 5.07222128138731e-05, 3.7314488049373724e-05, 3.351431544744209e-05]
-------------
C: [3.6776380183089796, 3.6903792028894853, 4.007242686475273, 4.030625835570846, 4.26929173387832, 4.280268541316293, 4.30653126759672, 4.359393185621979, 4.368760460205324, 4.40716384829703, 4.466346409786754, 4.502273946032717, 4.669840511035718, 4.706807438946802, 4.745690871033199, 4.796599208213123, 4.822628782543872, 4.83806668802279, 4.877280887661241, 4.970885954984416, 5.061462536313105, 5.073206887196012, 5.1051302267616805, 5.1542374500970505, 5.185611370779614, 5.217606161497998, 5.227657386813446, 5.286246435819422, 5.2915586960062475, 5.330287923208996, 5.726747827108456, 5.743384328542168, 5.753722893161184, 5.765603231179229, 5.831922922752856, 5.858201666769955, 5.885487446765187, 5.921059079519167, 6.032873720518559, 6.0823663217484745, 6.144143230469252, 6.147980202560371, 6.149553109091313, 6.184049910278579, 6.338579541554289, 6.371709062206881, 6.415172636584249, 6.44944549930289, 6.53355966859566, 6.605720716146451, 6.61132767526696, 6.719459329206786, 6.730353768633944, 6.781723651656647, 6.787183935904405, 7.248505806131049, 7.27071446185318]
C Index: [43, 44, 40, 41, 42, 45, 33, 48, 27, 31, 23, 51, 36, 46, 24, 38, 34, 30, 26, 47, 32, 20, 49, 35, 22, 25, 50, 37, 19, 17, 21, 16, 2, 29, 5, 52, 55, 18, 6, 54, 9, 39, 4, 56, 3, 57, 1, 53, 7, 12, 15, 10, 11, 13, 14, 8, 28]
Global Index: [67, 68, 64, 65, 66, 69, 54, 76, 44, 52, 40, 79, 57, 74, 41, 62, 55, 51, 43, 75, 53, 33, 77, 56, 39, 42, 78, 61, 32, 30, 34, 29, 2, 50, 5, 84, 87, 31, 6, 86, 16, 63, 4, 88, 3, 89, 1, 85, 10, 21, 24, 19, 20, 22, 23, 13, 49]
H: [3.9757956245278403, 3.997009125077671, 4.4415707117131085, 4.461592837960237, 4.483203289691262, 4.704868594029648, 4.920658798747, 4.937817540949566, 5.11190895039792, 5.124311351363234, 5.302222859257398, 5.339014256339818, 5.368025614185053, 5.409277752838864, 5.498188931262124, 5.673896337617284, 5.684655121868205, 5.7030012516385, 5.7129301628049, 5.786784149161189, 5.856253780377551, 5.8768655401635, 5.895261736805901, 6.040747571545046, 6.209528761303672, 6.2351693144703555, 6.276556932163586, 6.379896405819951, 6.533144065008684, 6.5444519200623334, 6.545916320246068, 6.668105654685252, 6.727073107267528, 6.7963309446151, 6.842171825010785, 6.8471598420061, 6.852217434802974, 6.858739862405828, 6.9197136532836225, 6.973591928555505, 7.0657141943474215, 7.143373518751981, 7.152996739574547, 7.415943493672076, 7.913784659226197, 7.936528578813534, 8.019996534412599, 8.042445716529153]
H Index: [26, 27, 22, 29, 21, 32, 25, 28, 18, 16, 23, 20, 43, 42, 15, 44, 24, 30, 41, 48, 3, 19, 31, 34, 47, 17, 39, 33, 2, 35, 14, 40, 8, 45, 10, 1, 13, 36, 46, 9, 5, 11, 12, 4, 6, 38, 7, 37]
Global Index: [71, 72, 58, 80, 48, 83, 70, 73, 45, 37, 59, 47, 100, 99, 36, 101, 60, 81, 98, 105, 9, 46, 82, 91, 104, 38, 96, 90, 8, 92, 35, 97, 17, 102, 25, 7, 28, 93, 103, 18, 12, 26, 27, 11, 14, 95, 15, 94]
Dummy atom index = 45
Sum Hydrop. =0.04092667030263193 Individual = [0.0030262033749798305, 0.0029878905528703645, 0.0019755424124071248, 0.0019298839097991486, 0.0016747352728366605, 0.0016564525527598501, 0.0016135158777095266, 0.0015304375194879823, 0.001516168426603472, 0.0013243500860626299, 0.0012482458884336238, 0.001326671129496112, 0.0010184126353861473, 0.000981452410804232, 0.0010400366673134073, 0.00012258677897509032, 0.0009630191881946142, 0.00011760736948325707, 0.0009118005143817599, 0.0007536703044008028, 0.0007584217150663889, 0.0007495666446358054, 0.0007260158835964856, 0.0006274120583949853, 0.0006080332661414968, 0.0006487814804499985, 0.0006422930943499786, 7.512639422198271e-05, 0.0006025335952570181, 0.0005261324789188769, 0.00038992495302686114, 0.00034808845786996734, 0.00037954729987392494, 4.651687528063457e-05, 0.00031859415217256644, 0.00031033094685392235, 0.00033269118016991065, 0.00032106482187864086, 0.0002605949392201335, 0.00027323597464898195, 3.1857574024947485e-05, 3.1735571612129734e-05, 0.00025548124720390925, 0.0002468182434563363, 0.0002114783391816892, 0.00020458694772504274, 0.00017780160120884313, 0.00017181107397405432, 2.1581980245155367e-05, 0.00016190041167161637, 0.00016099518284384284, 0.00013115523689492066, 0.00012973412925235025, 0.00013577219817623593, 0.00013503286370634957, 1.05583031737899e-05, 1.03264020907779e-05, -0.0002014041968274171, -0.00019717670724765386, -0.0001264110288101512, -0.00012390518114406337, -0.00012125625949342532, -9.714851099445809e-05, -7.829240848778375e-05, -7.696046911552516e-05, -6.466373229385263e-05, -6.386669953453779e-05, -5.345748064439728e-05, -5.152644579880248e-05, 0.0005491070413789103, 0.0005269160611181458, -4.394419403788257e-05, 0.00040440735493621396, -3.6468698634142986e-05, -3.58057391219007e-05, 0.00038892590467971974, 0.0003612372203898651, -3.071821074135923e-05, -3.0091534992004592e-05, -2.9543025906305792e-05, -2.5542963340960988e-05, 0.00023669922695209358, -2.1029792617450858e-05, 0.00022135374539253606, -1.819620465768917e-05, -1.56108373948159e-05, -1.5435306616973294e-05, -1.5412719693311393e-05, 0.0001496371490430018, 0.00014106854466233997, 0.0001316290931811826, -1.146085846140975e-05, -1.1403833842739359e-05, -1.134630349999495e-05, -1.127253888055925e-05, 0.0001163502872506729, 0.00011024741676209547, 0.00010054494259417158, -8.480216024888431e-06, -8.399000437977225e-06, 7.083657888549364e-05, 4.3057410480308447e-05, 4.2089168742605355e-05, 3.871869186913142e-05, 3.785917275169503e-05]
-------------
C: [3.224231038524598, 3.3270076054710214, 3.365386880045647, 3.4283477355440612, 3.606943129187518, 3.750688654445227, 3.8084375981543346, 3.896919934036931, 3.936617576334354, 3.9640445177774124, 4.075018036824498, 4.137456137272721, 4.1523822123449525, 4.1805635508355685, 4.269184402910789, 4.4119979937890745, 4.504284507919914, 4.7019894445085235, 4.981978469396987, 5.034028787987692, 5.0853399243294435, 5.090181882676418, 5.140564631227742, 5.279375272001421, 5.375735251586342, 5.419899626940006, 5.478909953742572, 5.6234562716786245, 5.626909295698117, 5.689038400851839, 5.792730064691559, 5.93041209874072, 5.9776074506926, 5.997568831906657, 6.073346066447443, 6.077881176804393, 6.120177270756387, 6.225821069334168, 6.29086784001636, 6.542302783991091, 6.583044220209232, 6.739552894618523, 6.795207454743675, 6.9332331884788525, 6.950590321910719, 6.963388953648737, 7.038385997628181, 7.091101848132978, 7.096232422340225, 7.113575463984352, 7.19929647095356, 7.255846657231196, 7.27253498111305, 7.288074286248376, 7.309690751115119, 7.42125933000415, 7.980312571296273]
C Index: [43, 33, 40, 31, 44, 36, 42, 34, 38, 48, 41, 45, 46, 32, 35, 51, 37, 49, 47, 23, 50, 27, 30, 52, 39, 55, 26, 24, 54, 20, 17, 56, 25, 29, 22, 19, 57, 21, 53, 16, 18, 2, 5, 15, 11, 6, 4, 9, 14, 12, 3, 1, 13, 28, 10, 7, 8]
Global Index: [67, 54, 64, 52, 68, 57, 66, 55, 62, 76, 65, 69, 74, 53, 56, 79, 61, 77, 75, 40, 78, 44, 51, 84, 63, 87, 43, 41, 86, 33, 30, 88, 42, 50, 39, 32, 89, 34, 85, 29, 31, 2, 5, 24, 20, 6, 4, 16, 23, 21, 3, 1, 22, 49, 19, 10, 13]
H: [3.4585659826131017, 3.5456058905667307, 3.9924959183212554, 4.069371706544879, 4.393962909693262, 4.460844992073308, 4.519578511169004, 4.74744063313701, 4.83506174335971, 4.889278262257429, 4.896643312786447, 4.996033992384059, 5.127199268681915, 5.231934690557987, 5.436481692559197, 5.516507874661394, 5.6803072054056996, 5.710556556714177, 5.799433121734713, 5.828484890048316, 5.875388893432344, 5.963353020839856, 6.00504829595954, 6.026853536401243, 6.140282601600156, 6.34825859223828, 6.373438808373496, 6.515110498737881, 6.608191404706361, 6.6106116373741495, 6.686484273235712, 6.851661274191841, 6.858503409353913, 7.095711163646083, 7.192696551484542, 7.36706223200483, 7.37817627618356, 7.402242527980641, 7.638806691889435, 7.6734317390904625, 7.694934627701253, 7.884375924072133, 7.9412047226096485, 7.984041414739558, 8.043961405140625, 8.266873515992065, 8.651368107569906, 8.745779777244788]
H Index: [26, 22, 29, 27, 25, 23, 43, 32, 44, 28, 24, 48, 21, 30, 47, 34, 16, 42, 20, 31, 33, 41, 45, 18, 46, 15, 35, 39, 19, 17, 36, 3, 40, 13, 14, 2, 12, 10, 1, 11, 8, 9, 38, 5, 37, 4, 6, 7]
Global Index: [71, 58, 80, 72, 70, 59, 100, 83, 101, 73, 60, 105, 48, 81, 104, 91, 37, 99, 47, 82, 90, 98, 102, 45, 103, 36, 92, 96, 46, 38, 93, 9, 97, 28, 35, 8, 27, 25, 7, 26, 17, 18, 95, 12, 94, 11, 14, 15]
Dummy atom index = 46
Sum Hydrop. =0.054378021919198175 Individual = [0.0047622288386835005, 0.004297095095094038, 0.003753537791324702, 0.0035244977744183273, 0.0032478840131007413, 0.002553326533268751, 0.002655171486011089, 0.0024303296499325823, 0.0002896869365882943, 0.002272549485931076, 0.001846085865752243, 0.0019107401944068027, 0.0017086498102348688, 0.0018301232050692033, 0.0015202902695029537, 0.0014520100629835245, 0.00016420799382160637, 0.0010864955186033294, 0.0007453564019758702, 0.000707552744529129, 0.0007405270743167343, 0.0007369501397405024, 8.690831878756944e-05, 0.000553612892936465, 6.869546157944074e-05, 0.0005299605091006464, 0.0004995922000984691, 0.00043235449754174356, 0.00043086414167493815, 0.00040490955400730207, 0.0003313286889398203, 0.0003180758959580203, 0.00030341292571369214, 3.688664477404364e-05, 0.00025025862893261926, 0.000274464229991822, 0.000263097542861795, 0.00023672072013957807, 0.0002013355915035773, 0.00015657547800775938, 0.00016561368863428466, 0.00014162025643681665, 0.00012158742003901637, 0.00011668394222884332, 0.0001040894518488725, 0.00010276573821768312, 0.00010503736268422021, 1.2358159572791906e-05, 9.913372509724943e-05, 9.742926773422904e-05, 8.942547963053745e-05, 7.670710272531309e-05, 8.311017510474658e-05, 1.0148684599178931e-05, 7.268610324340825e-05, 8.883175169211906e-06, 5.0789564431016826e-06, -0.0003378302195470873, -0.000309668865974191, -0.00019806861766913624, -0.0001834125039958111, -0.0001325747361956248, -0.00012399787778123034, 0.0012827230764986019, -9.309949963021444e-05, 0.0009356647773940018, -8.07882214370461e-05, -8.01953978715264e-05, 0.0007965461108347642, -6.368252385693262e-05, -5.735010946582866e-05, 0.0005127750855572848, -4.314651149258771e-05, -3.662760669845685e-05, 0.00038985015804868304, -3.251418062609963e-05, -3.158317533878721e-05, -3.0136002382019018e-05, 0.000302767744275326, 0.0002904033201530271, -2.5900335090090894e-05, 0.0002536705582183945, -1.8781096349168134e-05, -1.8314088636409726e-05, 0.00017437506287355987, -1.448216711153402e-05, -1.4447159278229478e-05, -1.3391566854570713e-05, -1.1352615622197773e-05, 0.000123694597288712, -8.894190219166573e-06, -8.07209370297184e-06, -6.780475355054308e-06, -6.7055340741651e-06, -6.546083388747096e-06, -5.167054262413331e-06, -4.991206697992689e-06, 5.35911736697923e-05, 4.434247794887607e-05, 4.189281318850673e-05, 4.013615693034715e-05, 3.780183349991819e-05, 3.0248466709005392e-05, 2.059299365911864e-05, 1.8737731806890545e-05]
