ELF44 (444SSSm /lib/ld-linux.so.2GNU%4'2!0.*" $+ 3-,%#  /()&1 q")Ȍ"0XZOBIx"PZRlȊto{h3"h2"h.""` 4 $"ȋ"7"x" H"*$"()H507">X;"E:M8sT\("m8r؋:{xyHd؊`"t"X"__gmon_start__libm.so.6sqrtlibc.so.6strcpy__strtod_internalstdoutungetc__ctype_b__strtol_internaltmpfileperrorfeofmallocisatty__finiteffflush__umoddi3__udivdi3abortfprintf__deregister_frame_info__finitefseekstdinsignalunlink_IO_getcfreadftellclearerrsprintffcloseatexitstderrfwriteaccess__xstatrewindfreopen__errno_locationexit__fxstatfopen_IO_putcfileno_IO_stdin_usedtempnam__libc_start_mainfputs__register_frame_info__finitelfreeGLIBC_2.0GLIBC_2.10ii ii ii ii !< @D HL1P,T X\ `.dhlp&t'x%|# $)0/(+3 *"US[st35]54%8%<h%@h%Dh%Hh%Lh %Ph(%Th0%Xh8p%\h@`%`hHP%dhP@%hhX0%lh` %phh%thp%xhx%|h%h%h%h%h%h%h%hp%h`%hP%h@%h0%h %h%h%h%h%h%h%h%h %h(%h0%h8p%h@`1^PTRh,hQVhȜU=u8PС8u鸘t hNÉUÍvU师thh ÍvUÐUhv  jhhMUWVSDž0NUUUUDž4NUU?jNPEPhphhhphthx*$P DžNjjjjjj jjNPh  OPhhhhh@h9hdPNP NKDž|NDžNDžtNDžxNDžlNDžpNNDžNKx^d9@t&NH݅|Nݝ|NNH݅tNݝtNNH݅lNݝlNNKyۅNܽ|Nݝ|NۅNܽtNݝtNۅNܽlNݝlNh,j|NPhpjtNPhpojlNPhp\(jNPhpFjNPhp3jNPhp $jNPhp jNPhpdNPNPNPNPNPOP`NPXNPTNPPNPHNPh@h9hdh@ NP@hjHNPhpYPNH@ NhjPNPhp" jNHFPhpjNPhpjNHdPhp$jNHŀ9PhpjNH@PhpjNH@Php$jNH@Php`jONPhpEjNH Php*$TNHNh$`jTNPhpjNHFPhpjNPhp(jNHdPhpjNHŀ9PhpjNH@Phpw$jNH@PhpXjNH@Php<jNShp)$jNH Php h8TjXNPhpj`NPhp(z`NDžNKuO(NN NOvNHJ@ NhjNJPhpWjNJ(NPPhp:j NRhp'(jNHdRhp jNHŀ9RhpjNH@Rhp$jNHN@RhpjNHN@RhpjNPhpu$jNJ PhpW NKhjNPhp%jNPhpjNPhp`NDžN(Kx,NvjNHPhp NKydܝXNE ܍XN܍XN܍XNܽNݝ@NܽNݝ8NhjdNRhpCj@NPhp0j݅@NE@t؃$cݝNNShp(j8NPhpj0NP8NPݝNShpUhh6jhhEP%wvN[^_ÐUWVSUE }? jj]SPhh辚jjhS(KjjjjjjjVQQQQQQM|QMxQMtQMpQMlQMhQMdQM`QM\QMXQMTQMPQMLQMHQMDQM@QMt&jjhEPKxjjjjjjjVQQQQQQM|QMxQMtQMpQMlQMhQMdQM`QM\QMXQMTQMPQMLQMHQMDQM@QMKjjjjjjjVQQQQQQM|QMxQMtQMpQMlQMhQMdQM`QM\QMXQMTQMPQMLQMHQMDQM@QMjjhEP^KjjjjjjjVQQQQQQM|QMxQMtQMpQMlQMhQMdQM`QM\QMXQMTQMPQMLQMHQMDQM@QMu >t1 M@KxBMtDMxDM|DBKyt&jj]SPhh舓jjhS(u2KTVMQMQ. ?Ky2&jjhEPu'K VMQFKyjjhEPNu'KVMQXKyjjhEPu'KVMQ rxKykjjhEPu'KIVMQ8Ky+jjhEPu'K VMQ&KyjjhEPNKVMQPKyjj]SPhh褑jjhS(jjjjjjjVQQQQQQM|QMxQMtQMpQMlQMhQMdQM`QM\QMXQMTQMPQMLQMHQMDQM@QMjjjjjjjVQQQQQQM|QMxQMtQMpQMlQMhQMdQM`QM\QMXQMTQMPQMLQMHQMDQM@QMKtt&t&e[^_ÐUjju|uxutupuluhudu`u\uXuTuPuLuHuDu@ux)vjhhà yڿIx,uTNj7Ph`à Gyڋ҉x)vjhhà yÅnM4 DžtIBxt&hÃjhh{à jtRh[à jH@E|Ph4à jH@Ph à pjPhà JjHPhà  jHPhà jHPhfà jHPh<à jHPhà xjHPhà NNx3MTI|vj|Phà GNyھ +xNx!jhh{à NyÅDh@ƃjhhƃ {jhhƃ uajhhƃ uGDžLjhhƃ u#yOƅu1`[^_ÐUju|uxutupuluhudu`u\uXuTuPuLuHuDu@uBHyM e[^_ÉUWVSjjh$MQt / M 9tNMM hmÃ|MDM Hh@PMM hÃuDt0MM =hÃM$1M9vM 9t\Mhjhh\c}Oj>Ph\` FKyt&Mhjhh\+c}Oj>Ph\ FKyM9M 9tZMh .jhh\c} Ot&j>Ph\ FKyT&M$h jhh\kc} Oj>Ph\J FKyjMQMQMQoM$e[^_ÐUVSu jjh$u ؋hhdtEphle[^ÐUVSu jjh$u؋xht藷tEh|e[^ÐUÐU\WVSU2Nx MD CNyUEEEM1NUUjjM DYPURMIMxBUU܍MMč&UDzEDzM܈AjjQURt9GMyыMD D$jjudu`u0}PWU4ROM h輜} hƃnDž\j\Phۯƃ 1CypƅjjhPtM h>} hU hM  h\j\Ph uYCNy蝾uFjjhPtU  hDv1  (h$\ jhhS : jhh1  jhh  jhh  jhh˭  jhh詭  jhh臭 n jhhe L jhhC * jhh!  jhh  jhhݬ  jhh軬  jhh虬  /m <h8趾E jhh< # jhh  jhh  jhh֫  jhh贫  J }X?~UX2PhL躽I jhh@ ' jhh  jhh  jhhڪ  jhh踪  jhh薪 } Nx7}\O\vj\Ph[ B CNy+ U4Dž|xBvjQWh h$|Rh(SA\jxWPh,h0HPQh)ωl\4΅|)l8+CNy㋕h\\Ƅ) A\jxWPh,h0HPPh)ωl\΅|+l8+CNy㋕h\\Ƅ) A\jxWPh,h0HPPPh)ωl\΅|)l8+CNy㋕h\\Ƅ) A\jxWPh,h0HPOh)ωl\΅|+l8+CNy㋕h\\Ƅ) A\jxWPh h$HPh(P\\HDž4N*tp\\Ƅ* HM@~@jEP]Pu ]D3PEPy:}}u$H]uƋ](u+M]C]Ix>uHx] u\]]:\:tBHyuuEIy‹]$@Eu)xE]uTFuIy؋](;1t&ue[^_ÐUt&]:Dt'BIy}uD}X} 4E+t&}t!]^}$\};zEFMy}t];~J}]$L}@‹] )x} 8]$BIye[^_ÐUWVSEU }tg t JU]D:uk BNy]DD9AMy2NE]D:ku BMy]DD9ANyr2NxbE]\]]:uk+&]D:ku BMyɋ]DD9ANye[^_ÐUWVSU E0Nt:)pE0u$!E8t3}?l)4xlu D@l4y䃽pu}$!t&E0N} Hu0]u0]u0]Džhp4xytht7E t u 171Dždh4xHp+d9~8tL;E T:u 42} 49:dC4yph)ppuu$t&Dž`p4t`D} 4N}>]ȋE]E]Ee]Ee]EeEeUEeEeݕEEEED@.`4E}>E]E]EEEEm]mݕEEE݅EM݅,D@4:E$Dždt`t7} <>t u 171Ee]Ee]EeEe]EeEeE]EEMEMݝdE$0p9u؃8Dž\DžXE$t֋} Hu0]u0]u0ݝxJ4t&SE$;utt3} HEu,0]Eu,0]݅xu,0tT:E 4NE},>]EE,݅x},>EEEEEEM܍Eu\XuX t&\u C4 X\hDžTX}$?)4SE$;utt3} HEu,0]Eu,0]݅xu,0tT:E 4NE},>]EE,݅x},>EEEEEEM܍EtTtPXt&TPK4T\u\tp+d4} <>tE$u 2 72d\X}$;7}mt‹u L+h4x'tL} |E 9>dhDžHhNTT9X|tTH4xItދHL7E |7E 4C4yTHxX+44xItދHL7E |7E 4C4yE$8+Xht>4tpE$tL3} <9+dE u 1<2K}$d4y1X@HhNtT8E u$} <9E <tp+d<4d9H+H\\u$9|u\O4xJt؋HL} <9t} >9>C4y\Hx}$+44xKtދHL7E |7E 4C4y\O4tpu$tL;E +du 42} 49:KE$d4y1u(>  ظ$DžD}0Eu```~Jt`|8E t } 9849~Jt|8E t } 9849},GGG GGGGG G$G(G,Džlp4 vtlt7E `tXD} 4NE},>]EE,]݅xE,tht7E ]EE,݅xE,܍EEME܍ME\D+\4v},<;E,< 4(4u,42},48X4;h9`4:@t&\D+\G@429Xu*9hu"},>@t9hu39`u+},>@tl&9hu+9`u#},>@429hu*9`u"},>@t9`u39Xu+},>@tl&9`u+9Xu#},>@429`u*9Xu"},>@t$@ }$?TE(9} vu6LDž8O xrLu,9|uO1҉8)Ɖ$xvL},9DuBA$y狵8L+t},TL y8E$0N xAOt&u T{X)xf&u |OE$ȋu7$2E$EEuu} E$AyCkuE@t؃$q1ًu5}(ɋE 0N} JE$0NHXu205}4EƋX05}8EƋX05}<E0NxV} ;tFE$;t?u |OEE4 ȋu7u8&EE< Et9By؋u,} ?E08u$6p}@_؋Eu(Dž}H} DHu0]}8]u0]GE0)E tN}>]E]}>]@XËu>)ljuH|hx`}TE tN}>]E]}>]PV|WxP`VTWhThTaƒ c݅HEI݅PE/݅XE݅E(Eɺu>OHxc;tR;tJ9tFE tN}>ܥhȋEܥp}>ܥxEBHy݅u(},u0~^݅hE4݅pu8݅x}<DžHHu@0BHyC#!Dž}HHVv} DHu0]}8]u0]GE0)t&E tN}>]E]}>]ȋ@XËu>)ljE tN}>]E]}>]ЍCTu>)lj@tupHlhh\}dTu |OE]u7]E]؋tVpWlPhV\WdPhThXƒ y݅HE_݅PEE݅XE+݅`E݅E(EɺuIxf;tZ;tR9tN;TtF} DHu0ܥhȋ}8ܥpu0ܥxEBIy݅u(},u0~^TF ݅hu4݅p}8݅xE<H4}@>BIyZؐt&TCqHE,2u(Euuu(&6}D ED1<[^_ULWVSE$Eċu6uuEEHEx UċuNE0EMyEuHE6uE}؃EHuEEĉEUUԋuTEE Kx`UЋu4űEEȋuĉuEHEMU‹u2$0 1EuEKyEOzEM@E8uEx7uvEL8J֋E0EDu5EKyύEPuVEPhh\u VEPPPuV ƒ(E PuVEPUčOx:E u1EHEu 0EEOyEKyuEEKxKEu >Ox6E t&UJu΋EE$ȋuEOyEKyEu6E@t؃$D&ًu1gEEu KxEuT@EKyEEKxt&uETFuKyظe[^_U(WVSuu} ?EEuu} EHExquu}}uVEE}PuVu؍P}WuV ]Kx!}}܍vu؍T1}Du܉AKy}}Myu)u؋EƋ} 7)Ɖu~[}WEEUPEPu؍PEP}WJ E]ùKxuuܐ}؍T9uD}܉AKyEE}e[^_UHWVSME ]$u(9OxDt&E \Ku u3E u$u3E$u(u3E(BOy] 1u$1E(1 ɉM]0u,E}ȃ`E̍D@]JtNutNuE I]] #u1u$&]EE( ]E] 4NuȋEE ]]$#EE( ]u JEE ]EE$ EE( MMME],u1E$0UȋEËE$]u1$0E]]$Uȋ]$]0$2E]؋u2$1U$]ЋE$E]EE@tuuA"]EE@tuu"]EE@tuu!UEE5UEuYUEuOEuFEEEE@t؃$!ً]0EOu,5e[^_ÐU`WVSu} IxD:: uCBIy;~EE16)xD:: uNJIyэSL|D:: BIyډ)xt&D:: tUBIy)މuEjEPEPEPh`h`h`hd|;WEPxƒDEHU)؉E؅~QjEPEPEPh`h`h`hdD;PEP!(D;: uE ]+MUBIxF\:: t:u E1\::t:u EBIyE^+EEMă}~XjEPEPEPh`h`h`hdEPEPWƒ( EE  ]EEt}uE]̋E8tF)މu~=jEPEPEPh`h`h`hd;PEP( ]EE$@EEEE@t)EP$]EPEP1M̋EEE@+EPEP0EEEe[^_ÐU WVSu} M HM$MvM(EKxMD9: uBAMKy;~M(16u)xt&MD9: uNIMKyD::"ȉMtBBU)x"MD9: uM9]BEKy9~bM(1dD::!uDBU)x"MD9: uM9BEKy9~M(1t&MU)MD9: uM9\MHx2ML9MM: t8BHy Mx~"ML9MM: tBHy[M9tMM DM$ BP$EKL؃}tM M$M(1)ؐt&M(M HM$e[^_ÐUWVS} ?2}K%}:}:AKyt&}?8} K&}:}:AKyt&}} þE8tXK} ;7*};~ }D}D};D }DF}D}DBAKyNKxF} ;7*};~ }D}D};D| }DF}D}DBAKye[^_ÐU,WVSE 0Nx }LANyE,}(E(EH} EE@EE܋}HE} ;~E}(E}D}DE$U}?tAӋu)x8E}D}DE$Eu }$]CNyȋE$E È@s 3v}(?E ;8u}(1t&E8t4E}(9t*HE}8E 9E89},Mu)x)UETU}:}$7EANy׋U}JE ;~}})xuE(8OEE}+}}EH} E}D}NjM]|1&ED}T8}|8E ,AKyENyE}(e[^_ÐUWVSEK]xi&Pw|2EDEt&QӋEE\E؋E ANy܍W]H] EGMy]3NWӋEEEDPÈ@s ظq_]Pً])ȉEx5]\]t&QЋ]]D]Ë] AMyڍW]NZ1e[^_UWVSE@E@Ӂ@wwwthphEHcv48t%w{e h~jeet&{u2U:t%w>j h~jjjEuQjj{$u C${(tXURSt@E8t%w‹h~0 1{~-URƋKӃuNjQ{u7jjUREPjjURjE؃PURt&EP?ljE@~ @t&)jVUR 9}5EPX uUR9u}u>룉MC9|ˋE8t%w h~jt&jUREP 1e[^_ÐUVSuwthhFc@Á@w@wtelwt7Ftu ؍e[^_US]U C< tC<(u8(H (u0jjRj| S~Åu1؋]ÐUWVS]} 1v4$$jjjjjjjj!CÁ`a`a}H w $lt&5v5v3h@5v8t%wd hajd0dCSwЃt `t&  JŃ} pH,uV} WS wЃ ~hh<0v0^vxt%w  hhjYlvr5C z= CD p4K = @@   C} t1=,8wЅ} K(wv$3$w$$wC0wv,w,wEuu u};791e[^_ÍvUEjjEPU ,@ÐUVSU= tu 9 9~5 ƃuhjq] 9s BA9r= ttP5e[^ÐUWVS} v4w9~ 4wʍJ; |RQ=4w4tF5wPC55wS1э\ 9r1e[^_ÍvU 4w9| PQ 4wE4wÐUS]{t3C ;| jPwBPs s u u]U WVS=wtnEPcv58t%w&ehjepeRށ@w5w@wEPu/EH a1Ҋ ztZuV FPEp R PPt ƒ;HwuLw9tE@DžEPƒE@F1ҋEH t ztZuV EPu~ ftFu F vFFEPtVPEp R uQE8t%w{kEPhjkkEph P F,F$F(FEPt P'%V$ jPƒ4E8LEPh2 Yt&F,PjCÉ1Iv?E8t%wcvhh&SPSRUt&jP:ƒu9E8t%wEPhh&b5Pƒt R1Q‰Vu8E8t%wlqEPhjqqPvExt~t Dž4P@ƒPƒt Fj4;PƒtF(FBE8t%wt‹h^0OR(‰VF PP#‰V u6E8t%w lEPhjlFl~tzExt 6hEXt^atAuRjj6O t@E8t%wt&EPhh1[^_ÍvU8WVSu]Sh }WE]ԉ}1IME u EE} uE&EẼEEw$wEPWƒwe[^_ÐUVSuwthhFcv5>t%w\e hjee@Á@w@wtbhwtYTwu,>t%wj hjjNj&{(tVC(3C$1e[^ÐUwx$u(uw@$5w u4wÍvUSwx$uq5wÃt( t4wT5wj f @&wx$u5w2tw@$]ÉUwx$u 1U1US]=wtwwv;t%w5‹&h0{Hvwx$t8vxt%whj01]ÐUw2vÉUVS]SЃcv4;t%wuet&hjee@Ɓ@w@wuCRjj t2;t%wr hjrir;~u-;t%wf hjf0f1e[^Uw6vÉUwUVSuE ]0 I9wJ: tIIJ9we[^ÐUVS]M u19}!tCAB9| & AB9|e[^UXEPuj| UE EÐUj V4wv%US=$t1j5wS j 4wv؋]ÍvU1=,tj ,4wvÐUS]=wt'wwv;t%w‹&h~0ov1]ÐUu u}thx^jBUWVSu} ~Kh51ۃ9}&5PFC9|h5`jUS] uh#5. t/5\5Ljj3jqUEU ÐUjh'ÍvUjh:mÍvUjhCYÍvUjhOEÍvUjhY1ÍvUjh`ÍvUhjhjuhDjihj] u jjLhj=u jj,h0jÐU VSEU }E Em}]umD@uEu VS,$D@uI ut&}ۃt t1p}m-ك$XZEUEe[^ÐUWVSUEM] < 49T9s 8u*AC9r9sR; u C9rFt& )‰(t&8uAC9r9s 9 uA9r1e[^_ÐUWVSUM E}4979v9r9seAB9rY9sS&NI9r@t&9v9r9s)AB9rt&9s JK9r B9re[^_ÐU8WVSu E=uuMtuрш CutuʈD :Cu}܉MM؍MMԃ}vwuu4vЉ…,tP tKN ~A%uuËC;]u(}ȋ]9s&MȈCAMȋM9Mr]؅u}t"ssu)BMMȀ=tL1MEE9E~MMMN9tb9} u)%t uȋMȈGNu64MMȻuG‹MȈMMȃNu1e[^_ÍvU|WVS] EEEEt-vЉ_,t t U BUKuً}u} u EE8 tU -uEBU E+uE}< wWEEUEeӋUUӋ}}EЙEUM]M]EU MEЀ} v u:=,wtEEUEeÉ֋MM΋UU։]uZ}t ]U]}u UE/}u EU}uEU}W UEf}?u 1vssx[^_ÐUTWVSu ]߅tvЅ,t tCNu} uC; t<.uC]]0PvЊ$0PvЃ;]u1e[^_ÐUWVSEUuƉ%uvu H t&uEPEPQRE} }u)u}u =$wtM}} 1;] |j*vЃC;] |g1;]}t&j vЃC;]|}tj-t&=$wt j+vЃ1;]}t&}PG}vЃC;]|1e[^_ÍvUWVSE} ]u‰Ӊ*u u p t&uEPEPVSvE}u =$wt EEMMME9 EE9~%19j*vЃC9|t& u*}u$19j vЃC9|t&U9U|+u+u+u19}j vЃC9|}t j-t&=$wt j+vЃ1ۋMME)9}j0vЃCUUE)9|1;]}"&MPAMvЃC;]|1e[^_ÍvUS]=t 0u0Ut&:EuC8uPvЃCu]ÍvUVS]u =t u rPFvЃse[^UWVSEUu8u881ۋu N9}vj vЃC9|t jT &jFv1e[^_ÐUVSu] PFvЃK1e[^UWVSu] }9~"Kj vЃ9PFvЃK1e[^_ÉUWVSU M]1u E EEuED@ teء0wE0wu t&qS)}EP)REP1ۃ9}j vЃC9|E0w)G;}~SQEPREPe[^_UWVS]} u=t Bw$Rh5j5v\j t&j jVsWPjVssWToVsWcVWZt&VsWIt&Vs ssW3Vs ssW&!VssWVjVssWe[^_ÍvUSU A w$HQh,5j5vzwi4wBSB)Éأ4w9}ۉӉBƐt&rrr1]UWVSEU }uvEU=| Mvv0؃ډEUEM]t&OM]SQM]SQZ0vM]SQM]SQEUE Eu)]ve[^_ÐU`WVSu]E}E0wхtC9~9~vK}uEuEEE$wED@uEDEu )ƅ~ NE%}!M j*vЃM y}Ӄ(~ ؉]Ļ(E$ShxẺEEP}ŨmDP؊ÙNtnuE}1Iu )+uVNxj vЃNy}t}t-+RvЃ]}6PvЃC;uUڍBEE@t7jj jEPƒ0wH)Rh~EP$ &B+00]C]ȃ} ;0{t-uCt8CCu,}}#v;tv;}@GC;uNxj vЃNy}t}t-+RvЃ]50wN}t j0vЃj.vЃ}j0vЃFxEPvЋ]:&~1EPvЍ] PCvЃNj.vЃ}tJE;]sPCvЃ;]rEvj0vЃMă}PCvЃ;]r}CPv,j0vЃG;}~;tPCvЃ;u1e[^_ÍvUWVSM] U}uW1 XEuDžlt&DžlD@u0wht3~hhhx؃$RhpVthlt.t&A0tt.u Džllu =$wth9h~4p0uh9huFKj*vЃKyp+hKxj vЃKyltj-t&=$wtj+ vhPvЃhFuOxj0vЃOy1\[^_ÐU WV}EEUUM Mu?9vЉE}u 1NjE1EUEEU9Uv Euu#M9Mw 9}rލE{&E )uE}MmU ЉEEEMmEEEMmE EeEUuEUƉ;}wu;uvMEMMEEEUe^_ÐU(WVUUMMUUUUM M؃}uW9MvЉu*}u 1uEE1uU؋EuU}u1M1yU9Uvu׉u}t&MMu;U9Uw M9Mrt&M؋U+UMM؉U}u}E M)MeEM EMeU؉U܋Mm܋MEM ‰U؋MeЋUuUeU܋M9wu;Ev U+EUU܃}t+M؋U)M܉M؉ȋMM Ƌ}U2zEUe^_ÐUS = t Ѓ;u]ÐUÐUS[<]UUUUUU? >:_@@CASHINMDLML2PDBBIOISUEND ENDMDLHEADERATOM CA N C O HEADRATOMNP2INPUT OUTPUTCASHINMDLML2PDBBIOISUOLDSEQUENTIALNEWQ???`ff???Q?@33?@end!DAPBC P   endmmol atom forceildm+sy01at-*vn   data__text@MOL @ATO@BON ar   data__text_structure_csd_matching_status perfect match partial match not matched not possibleloop_ P @x _ $@I/O recursionbackspaceI/O recursionI/O recursionendfilefort.%ldTemporary file name (TMPDIR?) too longI/O started while already doing I/Onon-positive record numbercan't append to file'new' file existscan't write filecan't read filesubscript out of boundssubstring out of boundsinvalid array sectionsubscript for scalar variablevariable count incorrectno end recordvariable not in namelistbad namelist namebad variable typebad logical input fieldread unexpected characterout of free spaceincomprehensible list inputtruncation failed in endfileoff end of recordunit not connectedcan't stat filenull file namecan't backspace filesequential io not alloweddirect io not allowedunformatted io not allowedformatted io not allowedillegal unit numbererror in format%s: illegal error number %d %s: end of file %s: %s (libf2c f__fatal already called, aborting.)apparent state: unit %d named %s (unnamed) apparent state: internal I/O last format: %.*s externalinternalformattedunformattedsequentialdirectreadingwritinglately %s %s %s %s IOI/O recursionbad stringformat too complicated: CeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeCeEeeCeeeƂeeǂǂǂǂǂǂǂǂǂǂ8eeeeeeeReeeeeeeeeeeeeЃeepeeeeeeeeeeeeReeeeeeeeeeeeeЃeepeee!eeeeeeeeeeeeeeeeeeeeeeeeeeeee!eeeeeeeeeeeeeegކކ@Eކvކކ0ކކކކކކކކކކކކ ކކކކކކgކކ@Eކvކކ0ކކކކކކކކކކކކ unknown code in do_fio: %d %.*s do_fiofmt`׊@f BQB`p3rr+wwmalloc failureopenfort.%ldno space5`5`sdfuI/O recursionrewindstartioread startstartiosfestartiowrite startSTOP statement executed %s Floating ExceptionIOT TrapQuit signalInterruptKilledTrace trap??0123456789ABCDEFe%ld3JJJJJJJJJJJJJJJJJJJJJJJ@@JJJJJJJJJJJJJJJJJJJJJJJJJJJJJJ@@fmtrd_ed, unexpected code: %d G&&G&&&&&&&&&&&&apP&Prd_ned, unexpected code: %d @0#a@Pleft offrecend?$@w_ed, unexpected code: %d  pppFR`$5w_ned, unexpected code: %d @صصصصصP`@%#.*E%+.2d+00%#.*f$@?,(/, M. Petitjean, Applications of the Radius-Diameter Diagram to,/, the Classification of Topological and Geometrical Shapes of,/, Chemical Compounds, J.Chem.Inf.Comput.Sci. 1992,32[4],331-337,/,/, Email: petitjean@itodys.jussieu.fr)`! @  (/, MOLECULE,I6, :,I6, ATOMS,/,1X,132A1)( 3D CONVEX HULL :,I6, FACES ,,I6, EDGES ,,I6, CONVEX-EXTREMAL POINTS :)(I7,4X,A2,I7,3F13.6,4X,A3,1X,A3,1X,A1,I4)@(/, 3D MOL. MEAN POINT:,3F13.6,/, 3D HULL MEAN POINT:,3F13.6,/,/, 3D HULL : SURFACE =,F16.6, , VOLUME =,F16.6)(/, DIAMETER =,F16.6, ; D-EXTREMAL POINTS :)`(/, RADIUS =,F16.6, ;,I2, R-EXTREMAL POINTS :)(/, MIN SPHERE CENTER :,3F13.6,/, BARYCENTRIC COORDINATES :,4F10.6) (/, GEOMETRICAL CONVEX-SHAPE COEFFICIENT :,F10.6,/, SURFACIC CONVEX-SHAPE COEFFICIENT :,2F10.6,/, VOLUMIC CONVEX-SHAPE COEFFICIENT :,2F10.6,/)( NUMERICAL PROBLEM DURING MINIMAL SPHERE SEARCH)@( ALL ATOMS ARE COPLANAR, ; UNABLE TO GENERATE 3D CONVEX HULL)\(80A1)(A4,1X,I6,2X,A3,1X,A3,1X,A1,I4,4X,3F8.3,1X,F5.2,1X,F5.2,6X,8A1)(1X,A6, FORMAT :, CAS , HIN , MDL , ML2 , PDB ,, BIO , ISU ? ,$)(A3)@@(1X,A6,1X,A3, MOLEC FILE NAME ? ,$)|(255A1)(1X,A6,1X,A3, COORD FILE NAME ? ,$)|LOLOYOYO@@@@( ERROR OPEN ,A6, FILE : ,100A1)        H HeLiBeB C N O F NeNaMgAlSiP S ClArK CaScTiV CrMnFeCoNiCuZnGaGeAsSeBrKrRbSrY ZrNbMoTcRuRhPdAgCdInSnSbTeI XeCsBaLaCePrNdPmSmEuGdTbDyHoErTmYbLuHfTaW ReOsIrPtAuHgTlPbBiPoAtRnFrRaAcThPaU NpPuAmCmBkCfEsFmMdNoLr# \(80A1)\(1X)(T(I2,I6,255(3F16.6))T\(255A1)P  (F9.6,2X,I6,80A1)(A2,I6,3F16.6,F16.3,F16.6,I6) (!,F9.6,2X,I6,80A1)(F9.6,2X,I6,80A1)(!,A2,I6,3F16.6,F16.3,F16.6,I6)(A2,I6,3F16.6,F16.3,F16.6,I6)\(18A1)$$SSNAME \(255A1)(@MOLECULE)((255A1)D(I5,5I6)`(SMALL,/,NO_CHARGES,/,/)(@ATOM)(I7,1X,8A1,3F10.4,1X,5A1,4X,1X,I1,1X,A10,F7.4, )(@BOND)DR(I6,2I5,1X,I1)(I6,2I5,1X,A2)(@SUBSTRUCTURE,/, 1 ,A10, 1 PERM 0 **** **** 0 ROOT )\(80A1)(I8,I7,I6,2I3,3I2,91A1)(255(I2,I3))(576(I3,I1))(12(3I3))(60(2I3))(43(I3,I2,I4,I3))?@ .-0 0123456789ABCDEF -ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz??@?@@@0123456789 .-EeDd +-0123456789abcdef0123456789ABCDEFpU?%gO=+wfT?$ t0123456789ABCDEFN^n~Ίފ.>N^n~΋ދ.>N^n~Ό  ,(ԅ  0H(o8oo·Add$<3b|%q 3Xr .Xl !bv! M1h(;!g$B?!  %!="S#j%&12345 60 8I 9c ; = > ? @ A B C0 DI E` Fy G H I N Q R9 SQ Tj V Y o r u {6 |S o  8 R F   +"jG3;BE0nRY ])fkPshx! #$%& "d(dPuudPu$<3b|%q 3Xr .XcvAYm !"#%&1 2#3:4S5k689;=>?@-ADB\CrDEFGHIN<QTRtSTVYor4uN{g| #>Zs*.9>CHMS_+hBVGk #<TnH#=u !/"G7[8q9C QM+eZ{ag Y )!o!!!=""""##X####$$A$h$$$$$%0%X%%%%%%%%A&H 1&R r&F&0&&B &&'#*'$C'%]'&1&w''''4(k((()R))))E***=***++8+Q+g++++++',^,,,-,$ Pu-D D D&D/DADLDDDDDDDDDDDD!@D#FD$QD%YD&aD'hD(kD)nD,sD-yD.D/D0D2D3D5D6D7D8D9D; D<D=D?"DA$D8'DC,DF`DGoDHq-@ (-@ 1-@ :-@ C-@ L- T- ]- q$ydw(dwf-dw$<3b|%q 3Xr .XE------.E..... .!."/7!/86/9K//C/ 0I0Ma0001Z%1d1aw1g11;2|222>333 4:4c444445#\5t55556#676[6o66666677%ZA&1&R @*7 B7!Z7"p7#7%7&7172738485386M88f898;8=8>8?8@9A9B69CM9Df9E}9F9G9H9I9N#:Q<:RU:Sm:T:V:Y:o;r;u9;{T;|q;;;;;<<9<V<p<0&&B 1&<<'<5=j===>I>>)>?J?a?=*w?**++8+Q+g++++??',?@U@-m@<$@-@5@["A$w0ADDDD #D!/D"=D$FD&OD(VD-hD.nD/wD0}D3D7D8D9D:D=D?D@DADBBA@LA@$]A$IxDIDKDS DTDUDV'DW1DY3DZ9DWCD]LlA@IuA(J@aL$QA$dxDdDeDfDgDe(Dh1Di3lA@d1$;d#y(d0yAd0y$<3b|%q 3Xr .XE%ZA&1&R @&&B 1&***++8+Q+g++++m@<$A$0yADD DD%D`DfD%oD&yD$D D!D"D#D'BA@A@Ao$A$/y B-B- !B-D/D3D4D5+D62D88D9cD:e+B@-6B@0BB1e$pbB$B`zpB@DBDF DHDI'DK4DLCDMMDNSDPyDQDRDSDTDUDVDXD[D\D^D`DaDc De;DfADhSDs]DufDvqDwwDxDyzBC+B@CBDB@EA@EBF$d|(d|Bd|$<3b|%q 3Xr .XcvABBByB0CsCCC*DZDDDHm@<$1D%A&H 1&R &&BD1&***++8+Q+g++++D 1ELE~E.EE9 F 3.F$^|@F\D^Dd B"|DJDKB4|Dd$Dz(D{>D~DDFDMD]D`DgDpDuJF@\TFbu$z]F$|nFwF DD DD#D*D,DGDbDkD{DDDDDDDDD D:DDDDF@F@F&$F$T~DDD DD)D.D8DADHDODTD^DgDnDuDzDDDDF@$F$~FDD DDD%D/D4DPDUDmDxDDDDDF@zBF@F@$G$FDD DDD.D4DQDXD\DeDDD D D DDDF@G@F@$!G$X0G9G wFDDD DD"D$D+D 4BG@$9KG ZG tG G G *G +G %G & H (H (.H ,D9D:D;D?J@lA@K@KKKKKK@K$L$FJDDFDH DIDJ)DK<DLJDM_DNjJ@D LFKGbK@Gj$qL$V|JTDVDWDX DYDZ)D[2D\9D]=D_ED`QDbTDcaDWfDffDghJ@T$m#L$nJlDnDqDr%D1D3DODSDTD\DkDoDuD|D|DDJ@l1L@o:L@1|$GL$xnFDDDDD(D/D8D?DDF@$FUL$cLrL }LDD DDPDnDDDDDDDDDDDD D"D@DHDDDDDDDDDDDD+D3D9DFD`DjDsD}DDDDDD D D DDDDDL@F@L$L$DD DL$L$ЋDDD5DI$KL L L L M  M(`aDM eM tM M d(d Md $<3b|%q 3Xr .XE%ZA&1&MFM?*7 B7!Z7"p7#7%7&7172738485386M88f898;8=8>8?8@9A9B69CM9Df9E}9F9G9H9I9N#:Q<:RU:Sm:T:V:YMo;r;u9;{T;|q;;;;;<<9<V<&&B *5N**++8+Q+g++++KN-aNNNNNNRN2OaOOOO)P]PPPQ=Q|QQRCRuRRR0SnSSSTETvTTT*UaUUUVRVVVWGWWWW3XhXXXY=YtYYYZbZZ5Nm@J@Z-Z5%[_[[[[[ [ \&&(\ '9\$/ nF-J- D/D3D4D5D6'D82D9FD:UD;WD<]D=bD>fD?pD@|DADBF@-K\@1J@1W\@1`\@1$j\$JJHDJDN DODP!DQ$DR,DS<DTBDUEDVIDWNDXQD]SDXcDYfDZrD[D\D_D`J@HJ@K{\@KF@L$\$hHJfDhDiDjDkDl1J@f$3\$w|9GuJu \uDwDxDz D{D|#D}=D~@DK\@u$P\$̍\DD DD%DZDnD{DDDDDDDDDD5D>DjDtDzD|DDDDDDDDD%D,D3D9D@DiDDDDD+D DCMDD4D:DDD[DDDD+D DCMDD&D5D?DyDDDDDDDD!D>D tD zD D DDD\@\@\J@]]A@K$&]$Г5]@] K]DDDD%D(D+D ;D!BD"ZD#wD$D%D&D'D(D*U]@`]@j]]]@]@w$](& td(d]d$<3b|%q 3Xr .XE%ZA&1&R @&&B 1&***++8+Q+g++++]$ADD D D #D +D`DnDDDDDDDDDDBA@LA@ $dr(d^d$<3b|%q 3Xr .XE%ZA&1&R @&&B 1&***++8+Q+g++++D0"^$DDD D D D !D #D6DJDO0^@6$Q:^$ԕDDDDD)D/D1D>DLDiDtD"D#0^@$H^$%`D%D&D'D("$$V^$*D*D+D,D- $ c^$3q^1D3D4D5D6D7)D83D9=D:GD;XD<^D=rD>|D?D@DADBDCDDDEDF DGDHDI'DJ5DK?DLRDMDNDODPBA@1F@3$dj(dp^dp$<3b|%q 3Xr .XE%ZA&1&R @&&B 1&***++8+Q+g++++^$pDD D D D F@$^$q^DDDDFDTDDDBA@^@$^$lDDD D D"F@$^$%D%D&D' D($d(d^d$<3b|%q 3Xr .XcvABBByH%A&H 1&R &&B 1&***++8+Q+g++++ _$_%_ 3_DDDDDDD D&D*D5D<=_@G_@U_@__@i_@<$Cs_$&_$3_$ _$D&D'D(#D)5=_@$U_@$_@$lA@&5$<_$0 _._. D0B&D=D> ^4D1D2D3 D4*_@.TF0*$,dL(dP_dP$<3b|%q 3Xr .XE%ZA&1&R @&&B 1&***++8+Q+g++++D0_$ PD D D D (D 2F@ $4_$DDD DD!D#D,DJDLF@,$Q `$ ؚD D!D"D#D$D&D(=F@!$?`$/q^-D/D0D1D2D3)D43D5=D6GD7XD8^D9|D:D;D<D=D>D?D@DADBDC&DD0DE:DF?DGIDHWDIjDJDKBA@-F@/$dǜ%`dȜr`dȜ$<3b|%q 3Xr .X&1&R A&&B 1&**```f2` a*aqa)a1aaAaBb>beZbb!bb>c}ccc:d|dde^/eceeeef6f_f{fffg7geggggShhhhic71i}ii jIj`jj#jjj&k]kkkk/lelllm;mmmm5nDnknnn7nm@mn-&o5`o!uo"o#o$o%o&o'o* p.!p97p>MpCdpH|pMp_pdphpmpnqrBq0qFqZqqqqqqqqrr++4rG Nr`Bir0r3rrrrsGssss[#t9t[gt$6Ȝst4t4 D6D7D8D9D;D="DA'DD..$.d%`dtd$<3b|%q 3Xr .X&1&R A&&B 1&**tHm@mB++4rG Nr`Br#tt$tt DD DD D0D@DHDXD [D%bt@u@lA@b$bdb%`dpudp$<3b|%q 3Xr .X&1&R A&&B 1&**`f2`aB>beic7`jj#m5m@mB++4rG Nr`Br#t6u$ptFu DDDD!D,D1D <D"ED(PRu@$Wdǝ%`dȝ^udȝ$<3b|%q 3Xr .Xm@m uuu-u5Av!-v"Bv#Uv$iv%}v&v'v*v.v9v>vCwH(wM=wSRw_gwd{whwmwnwrBwwwx'x=xSxixxxxx++4rG Nr`Brxxy.yoyyyz[#tEz[pz$ȝstt DD DDz@z@$z z dޝ%`dzd$<3b|%q 3Xr .X&1&R A&&B 1&**```f2`aB>beic7`jj#m5m@mB++4rG Nr`Br#tz$"nF!D"D$D%$z$)nF(D)D+D,$z$0nF/D0D2D3${$8nF7D8D:D;${$>0nF=D>D@DA$/{$EDnFDDEDGDH$@{$RXDRDSDUDXD['D\;D^GD_[D`gDes$ud͞%`dОQ{dО$<3b|%q 3Xr .XtE