PROGRAM SPHEREAVE
      IMPLICIT none
      integer*4 n,i,j,ns,nf,it,ifi,ict,istart,iend,np,ip
      real*8 pi,dt,th,cc(3),df,fi,x,y,z,
     1c1,s1,xx,yy,zz,c2,s2,s3,c3,dp,hi,a(3,3)
      real*8,allocatable:: r(:,:),rn(:,:)
      integer*4,allocatable:: at(:)
      character*80 s10
c
      pi=4.0d0*atan(1.0d0)
      write(6,6001)
6001  format('         Generating geometries over space angle',/,/,
     1       '              Input: FILE.X',/,
     2       '             Output: N.x',/,/)

      open(9,file='FILE.X')
      read(9,*)
      read(9,*)n
      allocate(r(n,3),rn(n,3),at(n))
      do 1 i=1,n
1     read(9,*)at(i),(r(i,j),j=1,3)
      close(9)
      write(6,6003)n
6003  format(i5,' atoms in FILE.X')

      write(6,6002)
6002  format('        Input number of theta points:')
      read(5,*)ns
      nf      =ns
      np      =ns
      df=2.0d0*pi/dble(nf)
      dp=2.0d0*pi/dble(np)
      dt=2.0d0*pi/dble(ns)
      write(6,6004)dt*180.0d0/pi
6004  format('delta theta = ',f10.3,' deg')

      do 2 j=1,3
      cc(j)=0.0d0
      do 3 i=1,n
3     cc(j)=cc(j)+r(i,j)
2     cc(j)=cc(j)/dble(n)
      write(6,6005)(cc(j),j=1,3)
6005  format(' molecular center ',3f12.3,' A')

      ict=0
      th=-dt/2.0d0
      do 14 it=1,ns
      th=th+dt
      c1=cos(th)
      s1=sin(th)
      fi=-df/2.0d0
      do 14 ifi=1,nf
      fi=fi+df
      c2=cos(fi)
      s2=sin(fi)
      hi=-dp/2.0d0
      do 14 ip=1,np
      ict=ict+1
      hi=hi+dp
      c3=cos(hi)
      s3=sin(hi)
      write(6,3000)th*180.0d0/pi,fi*180.0d0/pi,hi*180.0d0/pi
3000  format(3f12.2)

c     rotational matrix
      a(1,1)=c2
      a(1,2)=-c3*s2
      a(1,3)=s2*s3
      a(2,1)=c1*s2
      a(2,2)=c1*c2*c3-s1*s3
      a(2,3)=-c3*s1-c1*c2*s3
      a(3,1)=s1*s2
      a(3,2)=c1*s3+c2*c3*s1
      a(3,3)=c1*c3-c2*s1*s3

c     loop over atoms:
      do 4 i=1,n
      x=r(i,1)-cc(1)
      y=r(i,2)-cc(2)
      z=r(i,3)-cc(3)
      xx=a(1,1)*x+a(1,2)*y+a(1,3)*z
      yy=a(2,1)*x+a(2,2)*y+a(2,3)*z
      zz=a(3,1)*x+a(3,2)*y+a(3,3)*z
      rn(i,1)=cc(1)+xx
      rn(i,2)=cc(2)+yy
4     rn(i,3)=cc(3)+zz


      write(s10,400)ict
400   format(i10)
      do 5 istart=1,len(s10)
5     if(s10(istart:istart).ne.' ')goto 8
8     do 9 iend=len(s10),1,-1
9     if(s10(iend:iend).ne.' ')goto 6
6     open(10,file=s10(istart:iend)//'.x')
      write(10,100)ict,it,ifi,ip,th*180.0d0/pi,fi*180.0d0/pi,
     1hi*180.0d0/pi
100   format(4i5,3f10.3)
      write(10,*)n
      do 7 i=1,n
7     write(10,600)at(i),(rn(i,j),j=1,3)
600   format(i4,3f12.6,' 0 0 0 0 0 0 0 0.0')
14    close(10)

      write(6,900)ict
900   format(i10,' geometries')

      end