#                           IBM
 #                TJ WATSON RESEARCH CENTER
 #                 Molecular Input for DX
 #ATOMS  =        8
 #BONDS  =        7
 
 OBJECT 1 CLASS array TYPE float RANK 1 SHAPE 1 ITEMS    8
          ATTRIBUTE "dep" STRING "positions"
          DATA FOLLOWS
           14   14    1    1    1    1    1    1
 
 OBJECT 2 CLASS array TYPE float RANK 1 SHAPE 3 ITEMS    8
          DATA FOLLOWS
              .0000    1.1740     .0000        .0000   -1.1740     .0000 
             1.3990    1.6690     .0000       -.6770    1.6690    1.2250 
             -.6770    1.6690   -1.2250      -1.3990   -1.6690     .0000 
              .6770   -1.6690    1.2250        .6770   -1.6690   -1.2250 
 
 OBJECT 3 CLASS array TYPE int RANK 1 SHAPE 2 ITEMS    7
          ATTRIBUTE "ref" STRING "positions"
          ATTRIBUTE "element type" STRING "lines"
          DATA FOLLOWS
          0   1    0   2     0   3     0   4     1   5     1   6     1   7
 
 OBJECT "molecule" CLASS field
          COMPONENT "data"        1
          COMPONENT "positions"   2
          COMPONENT "connections" 3
 
 END