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D !$ x(%פ F$MOL@ATO@BON100( '@MOLECULE' ),@MOLECULET200( 255 A1 )*T 300( I5,5I6 )T 400( 'SMALL' / 'NO_CHARGES' // ),SMALL( , NO_CHARGES((T500('@ATOM' ), @ATOMT<  <-2<8<=A<G KQ,X T\600( I7 , 1X , 8A1 , 3F10.4 , 1X , 5A1 , 4X , 1X , I1 , 1X , A10 , F7.4 , ' ' )700( '@BOND' ), @BONDT <T802( I6 , 2I5 , 1X , A2 )801( I6 , 2I5 , 1X , I1 ) <T,@SUBSTRUCTURE(,% 1  1,-? 1 PERM 0 **** **** 0 ROOT To900( '@SUBSTRUCTURE' / ' 1 ' , A10 , ' 1 PERM 0 **** **** 0 ROOT ' ), >,-,<(($,& MATRICE DE DIMENSION : B(FTH10000( ' >' , 130 ('-') , '<' / / ' MATRICE DE DIMENSION :' , I12 / )20000( 8 D16.6 )T (,  TRACE = , ; DETERMINANT LU = 2(C, E <V,Z DETERMINANT QR = rTy30000( / ' TRACE = ' ,D22.15, ' ; DETERMINANT LU = ' ,D22.15 , / ' ' , 22 X , ' DETERMINANT QR = ' ,D22.15 )(,  TRACE = , ; DETERMINANT = 2(9(C,E VALEURS PROPRES :([T]40000( / ' TRACE = ' ,D22.15, ' ; DETERMINANT = ' ,D22.15 / / ' VALEURS PROPRES :' / )50000( I12 , ' : ' , D22.15 ) ,  : T(, VECTEURS PROPRES :(T60000( / ' VECTEURS PROPRES :' / )70000( 8 D16.6 )T (,# PLUS GRAND ELEMENT DE A.U - U.D : -(3,#A PLUS GRAND ELEMENT DE UT.U - I : i(o({,} DETERMINANT DE U = ,  ; SYM = T80000( / ' PLUS GRAND ELEMENT DE A.U - U.D :' , D10.3 / , ' PLUS GRAND ELEMENT DE UT.U - I :' , D10.3 / , / ' DETERMINANT DE U = ' , D22.15 , ' ; SYM = ' , L1 )(  T 90000( / 12 I11 )(, DIAGNOSTIC FINAL : FLAG = $(((2,4 >,@-,G<TK99999( / ' DIAGNOSTIC FINAL : FLAG =' , I12 / / ' >' , 130 ('-') , '<' )        H HeLiBeB C N O F NeNaMgAlSiP S ClArK CaScTiV CrMnFeCoNiCuZnGaGeAsSeBrKrRbSrY ZrNbMoTcRuRhPdAgCdInSnSbTeI XeCsBaLaCePrNdPmSmEuGdTbDyHoErTmYbLuHfTaW ReOsIrPtAuHgTlPbBiPoAtRnFrRaAcThPaU NpPuAmCmBkCfEsFmMdNoLrSSNAME 01234567890123456789abcdef0123456789ABCDEF0123456789ABCDEFabcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ$` ܛp4 pp m ms0 lA lAP m m_ kN@ kF0 ߄ Bp ͠ G 8 [Ѡ#014;DEXFhprz}@lh($<  (,-OPS X]8cXiXm$ux 8H@8h8hxP\%11 .-eDEd -+ :> P 2         2      @ " V  4  R@x@_ ?@?33@?Q??ff`???Q  6 @$@@?   =|׽<V>Ey0:?>퍾 ,; ,;YNNMDLINPUT OUTPUTMDLCASHINML2PDBBIOISUCASINPUT OUTPUT INPUT OUTPUT CASOLD NEW INPUT OUTPUTINPUT OUTPUTCASCASCASHINMDLML2PDBBIOISUCASHINMDLML2PDBBIOISUCASHINMDLML2PDBBIOISU Pendend end!DAPBC! end  #END ENDMDL END ENDMDLHEADERATOM CA C N CA N CA C O HEADER ATOMEND endm mol atom sdta forcefield mm+sys 0mol 1 -* - oa000 lv * mt es sdtaendmol 1(20I6) data__text_text_textdata__text_text_text data__text_text_textdata__text_text_textloop_loop_ data_ . # .3.ar.1.1pl3222 ar?@-0.?@?? -?@@???@@??G /xlv55/kudzu-apr12/root/usr/include/xlv55/kudzu-apr12/root/usr/include/sys/xlv55/kudzu-apr12/root/usr/include/xlv55/kudzu-apr12/root/usr/include/sys/xlv55/kudzu-apr12/root/usr/include/xlv55/kudzu-apr12/root/usr/include/syscrt1text.sregdef.hregdef.hsgidefs.hfpregdef.hasm.hasm.h"0~ vv z|zz}!}~~^H /xlv55/kudzu-apr12/root/usr/include/xlv55/kudzu-apr12/root/usr/include/sys/xlv55/kudzu-apr12/root/usr/include/xlv55/kudzu-apr12/root/usr/include/sys/xlv55/kudzu-apr12/root/usr/include/xlv55/kudzu-apr12/root/usr/include/syscrt1tinit.sregdef.hregdef.hsgidefs.hfpregdef.hasm.hasm.hP  2 /home/ptitjean/rootqcm.fٟ"#H,,)D! ~~~ \!A^q }!9]]F jF&$9I :82 /home/ptitjean/rootmof.f*0  =u|zz  9|v  whq~sqq -(lll 5~[("||r)>hS?{B }=o} %^B{= ={{{9{{{,8V6 /home/ptitjean/rootlecmol.fFbbb' bx9~ fx= t[x5 ~~t[x57  ~t\x5,}t[x5 p[x x|||       MKK?IK3UK'afKmKy~ ~~~5 4(. 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