C************XYZ.FOR****************************************************
C**Reads an edited .LST file(SHELXL93) and prepares a file of coordintes
C**with sigmas. This file with symmetry transformations and atom
C**pairs/triplets for bonds/angles can be used as input for DIST.FOR
C**Dimensioned for 100 atoms.
C**The .LST file should be edited to retain the TITL, CELL and ZERR
C**lines without the instruction code, lambda and Z (format free).
C**These three lines to be followed by final refined parameters 
C**and standard deviations as it appears in .LST file(no editing,
C**but delete everything after the last atom)
C**********mvr/November, 1995.******************************************
C
      DIMENSION X(100),Y(100),Z(100),DX(100),DY(100),DZ(100)
      CHARACTER*4 NAM(100)
      CHARACTER*30 TITLE
      READ(1,60)TITLE
      WRITE(2,70)TITLE
   60 FORMAT(A30)
   70 FORMAT(1X,A30)
      READ(1,*)A,B,C,AL,BT,GA
      READ(1,*)DA,DB,DC,DAL,DBT,DGA
      WRITE(2,50)A,B,C,AL,BT,GA,DA,DB,DC,DAL,DBT,DGA
   50 FORMAT(3F10.5,3F10.4/3F10.5,3F10.4)
      N=0
      DO 5 I=1,100
      READ(1,20,END=25)NAM(I),X(I),Y(I),Z(I)
      READ(1,30)DX(I),DY(I),DZ(I)
   20 FORMAT(A4,5X,3F10.5)
   30 FORMAT(9X,3F10.5/)
      N=N+1
    5 CONTINUE
   25 WRITE(2,10)N
   10 FORMAT(I4)
      DO 15 I=1,N
      WRITE(2,40)NAM(I),X(I),Y(I),Z(I),DX(I),DY(I),DZ(I)
   15 CONTINUE
      RD=0.
      ND=1
      MD=0
      WRITE(2,120)
      WRITE(2,80)ND,RD,ND,MD,MD,RD,MD,ND,MD,RD,MD,MD,ND
      WRITE(2,80)MD,RD,MD,MD,MD,RD,MD,MD,MD,RD,MD,MD,MD
      WRITE(2,90)
      WRITE(2,110)
      WRITE(2,130)
   90 FORMAT(12X,' bond dist. NAM1 IT1 NAM2 IT2: a4,i2,1x,a4,i2'/
     112X,' defaults IT1=IT2=0(no sym. transform.)'/
     212X,' last line as follows:'/
     3'****00 ****00')
  110 FORMAT(12X,' dist.( < DMX ) between blocs of atoms.'/12X,
     1' NAMIS NAMIE ITR NAMJS NAMJE JTR DMX : ITR=JTR=0, no trasform'/12
     2X,' a4,1x,a4,i2,1x,a4,1x,a4,i2,f10.4   : DMX=0, nothing printed!'/
     3'**** ****00 **** ****00')
  130 FORMAT(12X,' two bond dist. NAM1-NAM2, NAM3-NAM2 and angle at ', 
     2'NAM2'/12X,' NAM1 IT1 NAM2 IT2 NAM3 IT3 : a4,i2,1x,a4,i2,1x,a4,i2'
     2/12X,' defaults IT1=IT2=IT3=0(no transf.) '/
     3'****00 ****00 ****00') 
  120 FORMAT(12X,' symmetry transformations - as for ORTEP')
   80 FORMAT(I2,3(F9.5,3I3))
   40 FORMAT(A4,6F10.5)
      STOP
      END