program rxyzt
c     makes FILE.X from coord
      character*1 ok
      character*2 at
      character*80 s80
      logical num
      dimension r(5000,3),iz(5000)
c
      bohr=0.529177
      ia=0
      open(2,file='coord',status='old')
c
1     read(2,222,end=1000,err=1000)ok
222   format(a1)
      if(ok.ne.'$')goto 1
c
2     read(2,*,err=1000,end=1000)x,y,z
      backspace 2
      read(2,28)s80
28    format(a80)
      is=0
10    is=is+1
      if(num(s80(is:is)))goto 10
      at(1:1)=' '
      at(2:2)=s80(is:is)
      ia=ia+1
      r(ia,1)=x*bohr
      r(ia,2)=y*bohr
      r(ia,3)=z*bohr
      iq=0
      if(at.eq.' h')iq=1
      if(at.eq.' c')iq=6
      if(at.eq.' n')iq=7
      if(at.eq.' o')iq=8
      if(iq.eq.0)write(6,*)'unknown atom'
      iz(ia)=iq
      goto 2
1000  nat=ia
      close(2)
      write(6,*)nat,' atoms'
      if(nat.eq.0)stop
      open(3,file='FILE.X')
      write(3,*)' Turbomole coordinates'
      write(3,*)nat
      do 3 i=1,nat
3     write(3,3000)iz(i),(r(i,j),j=1,3)
3000  format(I3,3f15.8) 
      close(3)
      write(6,*)'coord written into FILE.X'
      stop
      end
c
      function num(l)
      logical num
      character*1 l
      num=.false.
      if(l.eq.'1')num=.true.
      if(l.eq.'2')num=.true.
      if(l.eq.'3')num=.true.
      if(l.eq.'4')num=.true.
      if(l.eq.'5')num=.true.
      if(l.eq.'6')num=.true.
      if(l.eq.'7')num=.true.
      if(l.eq.'8')num=.true.
      if(l.eq.'9')num=.true.
      if(l.eq.'0')num=.true.
      if(l.eq.'+')num=.true.
      if(l.eq.'-')num=.true.
      if(l.eq.'.')num=.true.
      if(l.eq.' ')num=.true.
      return
      end