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d`Y( IMOL1 , IMOL2 , INI1 , INI2 , LENGTH , NUCLEO ? ,$)Y(255A1)YZZ( Mol. ,I4, :,I6, atoms ; ,I6, -,I6, ; ,80A1)`Z(/, Number of analyzed base pairs is,I6,/, Number of H bonds recognized is ,I6)Z(/, WARNING : LESS THAN 7 ATOM PAIRS ) [(/, Variance : initial =,F16.6, ; final =,F16.6,/, Std. dev.: initial =,F16.6, ; final =,F16.6,/, Angstroms: initial =,F16.6, ; final =,F16.6,/,/, Rotation axis :,3F13.9, ; angle =,F13.9,/,/, translation rotation matrix,/)8\(F16.9,4X,3F13.9)`\(1X)\\`\(I6,F12.6,2( / ATOM,I7,2X,A3,1X,A3,1X,A1,I4,4X,3F8.3))(I6,F12.6,2( /,I12,2X,A2,3F13.6)) ](/, WRITE ERROR : EERCO2 =,I2,/)`](/, READ ERROR IMOL1/IMOL2 : ,I2,/,I2,/)](/, M. Petitjean,,/, Solving the Geometric Docking Problem for, Planar and Spatial Sets,,/, Internet Electron. J. Mol. Des. 2002,1[4],185-192.,/,/, Email: petitjean@itodys.jussieu.fr)^(/, NUMERICAL CONVERGENCE PROBLEM : FLAG =,I2,/)  _ _(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)aa(1X,A6,1X,A3, COORD FILE NAME ? ,$)`\8_8\8_8i8_8i8_8bbbb( ERROR OPEN ,A6, FILE : ,100A1)        H HeLiBeB C N O F NeNaMgAlSiP S ClArK CaScTiV CrMnFeCoNiCuZnGaGeAsSeBrKrRbSrY ZrNbMoTcRuRhPdAgCdInSnSbTeI XeCsBaLaCePrNdPmSmEuGdTbDyHoErTmYbLuHfTaW ReOsIrPtAuHgTlPbBiPoAtRnFrRaAcThPaU NpPuAmCmBkCfEsFmMdNoLr# TgTgTgTg(80A1) (1X)hgg(I2,I6,255(3F16.6))g  h h h(255A1) h h h h h h h hP8iIi8iIi(F9.6,2X,I6,80A1)(A2,I6,3F16.6,F16.3,F16.6,I6)Iii jiAj(!,F9.6,2X,I6,80A1)(F9.6,2X,I6,80A1)(!,A2,I6,3F16.6,F16.3,F16.6,I6)(A2,I6,3F16.6,F16.3,F16.6,I6) (18A1)djdjSSNAME kkkkkkkkkkkkkkk(255A1)kMOLECULE)hl(255A1)l(I5,5I6)l(SMALL,/,NO_CHARGES,/,/)l(@ATOM)m(I7,1X,8A1,3F10.4,1X,5A1,4X,1X,I1,1X,A10,F7.4, )Hm(@BOND)mm(I6,2I5,1X,I1)(I6,2I5,1X,A2)m(@SUBSTRUCTURE,/, 1 ,A10, 1 PERM 0 **** **** 0 ROOT ) (80A1) n n n n n np/p;pGpPpYpp/p;pGpPpYpp/p;pGpPpYp(I8,I7,I6,2I3,3I2,91A1)(255(I2,I3))(576(I3,I1))(12(3I3))(60(2I3))(43(I3,I2,I4,I3))?@ .-0 0123456789ABCDEF -ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyzHz>??d?@@@0123456789 .-EeDd +-0123456789abcdef0123456789ABCDEF?@_;??`??????vvv@wwwwwnxx( >,130(-),<,/,/, MATRICE DE DIMENSION :,I12,/)(8D16.6)(/, TRACE = ,D22.15, ; DETERMINANT LU = ,D22.15,/, ,22X, DETERMINANT QR = ,D22.15)(/, TRACE = ,D22.15, ; DETERMINANT = ,D22.15,/,/, VALEURS PROPRES :,/)(I12, : ,D22.15)(/, VECTEURS PROPRES :,/)(8D16.6)(/, PLUS GRAND ELEMENT DE A.U - U.D :,D10.3,/, PLUS GRAND ELEMENT DE UT.U - I :,D10.3,/,/, DETERMINANT DE U = ,D22.15, ; SYM = ,L1)(/,12I11)(/, DIAGNOSTIC FINAL : FLAG =,I12,/,/, >,130(-),<)?????@@??@@??B CCC8CNChC}CCCCCCCC D&D>DPDbD{DDDDDDEE'E9ENE`FFgEgEcGcGaGaG JX0123456789ABCDEF, L 7(` N d{̉(o$oozzʋڋ *:JZjzʌڌ *:JZjzʍڍ *:JZjYf-dd,<;e#tIr$IscV [2H_s !" #%7&M1d2|345689;.=D>Z?p@ABCDEFG'H@IUNQRS T%UAVYXq[^ehlq r! u< vY yt z }  , ˔` F  #B E 4a < C F S Z ^ lt9yZ s 8N8cvbsK8{#52cvssH$KSLUZ^+acbH^57 8%9?:Y dod/d/,<;e#tIr$Is16S*+-.0.I.a.z....2.//2/M/j//(/0/IT./0%0 =0!U0"k0#0%0&0102030415.16H18a19{1;1=1>1?1@1A2B12CH2Da2Ex2F2G2H2I2N3Q83RZ3Sr3T3U3V3X3[3^4e(4hC4l^4qx4r4u4v4y4z 5}'5B5^5{5555F5!6j6#6747<&8Ca8F~8S9ZU9^s999G999;:иW:t::%:)=kC==+>>>?(???@!A9A6WA,BBBBCyCCpEGe5GGH\H7sHHY..BHH%H5IJi)JtJKKgK|KU KpEppsNtgK|KNt[t/; otttv t+tnt=.