diff --git a/src/iochamp.f90 b/src/iochamp.f90
index f44cfb2..183582f 100644
--- a/src/iochamp.f90
+++ b/src/iochamp.f90
@@ -212,7 +212,7 @@ PROGRAM iochamp
 
   if (.not. fdf_block('molecule', bfdf)) then
       !   External file reading
-          write(6,*) 'Reading coordinates of the moleculle from an external file'
+          write(6,*) 'Reading coordinates of the molecule from an external file'
           ia = 1
 
           open (unit=12,file=file_molecule, iostat=iostat, action='read' )
@@ -227,18 +227,15 @@ PROGRAM iochamp
             read(12,*) symbol(i), cent(1,i), cent(2,i), cent(3,i)
           enddo
           close(12)
-  endif
 
-    write(6,*) 'Coordinates from Molecule load construct: '
-    do ia= 1, natoms
-      write(6,'(A4,3F10.6)') symbol(ia), (cent(i,ia),i=1,3)
-    enddo
-    
-   
-  
-    write(6,'(A)')  
-  
-    write(6,*) '------------------------------------------------------'
+          write(6,*) 'Coordinates from Molecule load construct: '
+          do ia= 1, natoms
+            write(6,'(A4,3F10.6)') symbol(ia), (cent(i,ia),i=1,3)
+          enddo
+  endif
+ 
+  write(6,'(A)')  
+  write(6,*) '------------------------------------------------------'
 
 
 
@@ -266,20 +263,19 @@ PROGRAM iochamp
             ia = ia + 1
           endif
         enddo
-    endif
-  write(6,*) 'Coordinates from Molecule block: '
-  do ia= 1, natoms
-    write(6,'(A4,3F10.6)') symbol(ia), (cent(i,ia),i=1,3)
-  enddo
-  
- 
+
+        write(6,*) 'Coordinates from single line Molecule block: '
+        do ia= 1, natoms
+          write(6,'(A4,3F10.6)') symbol(ia), (cent(i,ia),i=1,3)
+        enddo
+      endif
 
   write(6,'(A)')  
 
   write(6,*) '------------------------------------------------------'
 
 
-!  Molecule coordinate block begins here  
+!  Molecule coordinate block begins here  for demonstration
 
   if (fdf_block('Coordinates', bfdf)) then
     ia = 1
@@ -290,18 +286,12 @@ PROGRAM iochamp
       enddo
       ia = ia + 1
     enddo
-    na = ia - 1 
-
-  endif
-
-  if (fdf_block('Coordinates', bfdf)) then
-    write(6,*) 'Coordinates:'
-    do ia = 1, na
-      write(6,'(A, 4x, 3F10.6)') symbol(ia), (xa(i,ia),i=1,3) 
+    write(6,*) 'Coordinates from explicit data block:'
+    do j = 1, ia
+      write(6,'(A, 4x, 3F10.6)') symbol(j), (xa(i,j),i=1,3) 
     enddo
   endif
 
-
   write(6,*) '------------------------------------------------------'
 
 
@@ -353,12 +343,12 @@ PROGRAM iochamp
 
     endif
 
-    if (fdf_block('Coordinates', bfdf)) then
-      write(6,*) 'Coordinates:'
-      do ia = 1, na
-        write(6,'(A, 4x, 3F10.6)') symbol(ia), (xa(i,ia),i=1,3) 
-      enddo
-    endif
+    ! if (fdf_block('Coordinates', bfdf)) then
+    !   write(6,*) 'Coordinates:'
+    !   do ia = 1, na
+    !     write(6,'(A, 4x, 3F10.6)') symbol(ia), (xa(i,ia),i=1,3) 
+    !   enddo
+    ! endif
 
 
     write(6,*) '------------------------------------------------------'
diff --git a/src/test-champ.inp b/src/test-champ.inp
index cefaf5c..bcbcbbf 100644
--- a/src/test-champ.inp
+++ b/src/test-champ.inp
@@ -12,17 +12,23 @@ load basis          BFD-T-normf0.bas
 load determinants   TZ_1M_500.det
 
 
-%block molecule < caffeine.xyz
-
-
-
-
-#%block determinants
-
-
-#%end block
+#%block molecule < caffeine.xyz
 
 
+%block Coordinates
+ C    0.00000    1.40272  0
+ H    0.00000    2.49029  0
+ C   -1.21479    0.70136  0
+ H   -2.15666    1.24515  0
+ C   -1.21479   -0.70136  0
+ H   -2.15666   -1.24515  0
+ C    0.00000   -1.40272  0
+ H    0.00000   -2.49029  0
+ C    1.21479   -0.70136  0
+ H    2.15666   -1.24515  0
+ C    1.21479    0.70136  0
+ H    2.15666    1.24515  0
+%endblock
 
 
 %module optimization
@@ -31,13 +37,11 @@ load determinants   TZ_1M_500.det
     optimize_jastrow		yes       
     optimize_orbitals	    true
 
-
     sr_tau 		    0.025
     sr_eps 		    0.001
     sr_adiag 	    0.01
     energy_tol 	    1.0E-5
 
-
     ncore       0     no_active   0
     nextorb   	280 ; nblk_max 	  200
     nopt_iter   2
diff --git a/src/test-champ.out b/src/test-champ.out
index 48341c0..93b14b6 100644
--- a/src/test-champ.out
+++ b/src/test-champ.out
@@ -32,33 +32,18 @@ etrial         -408.1744362             eV
 # above item originally: etrial         -15.00000000     Ha        
 excess_charge         0     # default value
 multiplicity         1     # default value
-%block molecule
-%block molecule
- 24
- molecule 1,3,7-Trimethylpurine-2,6-dione
-   N      1.5808      0.7027     -0.2279
-   C      1.7062     -0.7374     -0.2126
-   N      0.5340     -1.5671     -0.3503
-   C      0.3231      1.3600      0.0274
-   C     -0.8123      0.4553      0.0817
-   C     -0.6967     -0.9322     -0.0662
-   N     -2.1886      0.6990      0.2783
-   C     -2.8512     -0.5205      0.2532
-   N     -1.9537     -1.5188      0.0426
-   C      0.6568     -3.0274     -0.1675
-   O      2.8136     -1.2558     -0.1693
-   O      0.2849      2.5744      0.1591
-   C     -2.8096      2.0031      0.5032
-   C      2.8301      1.5004     -0.1968
-   H     -3.9271     -0.6787      0.3762
-   H      1.4823     -3.4046     -0.7865
-   H     -0.2708     -3.5204     -0.4868
-   H      0.8567     -3.2990      0.8788
-   H     -2.4123      2.7478     -0.2017
-   H     -2.6042      2.3621      1.5221
-   H     -3.8973      1.9344      0.3695
-   H      3.5959      1.0333     -0.8314
-   H      3.2249      1.5791      0.8255
-   H      2.6431      2.5130     -0.5793
-%endblock molecule
+%block Coordinates
+  C    0.00000    1.40272  0
+  H    0.00000    2.49029  0
+  C   -1.21479    0.70136  0
+  H   -2.15666    1.24515  0
+  C   -1.21479   -0.70136  0
+  H   -2.15666   -1.24515  0
+  C    0.00000   -1.40272  0
+  H    0.00000   -2.49029  0
+  C    1.21479   -0.70136  0
+  H    2.15666   -1.24515  0
+  C    1.21479    0.70136  0
+  H    2.15666    1.24515  0
+%endblock Coordinates
 #:defined? determinants              T