#                           IBM
 #                TJ WATSON RESEARCH CENTER
 #                 Molecular Input for DX
 #ATOMS  =       41
 #BONDS  =       43
 
 OBJECT 1 CLASS array TYPE float RANK 1 SHAPE 1 ITEMS   41
          ATTRIBUTE "dep" STRING "positions"
          DATA FOLLOWS
            6    6    6    6    6    6    1    1    7    7
            6    1    6    7    6    6    1    6   16    1
            1    1    6    1    1    1    1    1    6    6
            1    1    1    1    6    1    6    1    1    1
            1
 
 OBJECT 2 CLASS array TYPE float RANK 1 SHAPE 3 ITEMS   41
          DATA FOLLOWS
              .0573   -3.6761     .9351       1.4534   -3.6848     .8829 
             2.1004   -2.4555     .8410       1.3571   -1.2082     .8395 
             -.0346   -1.2292     .9011       -.6624   -2.4848     .9453 
             -.4804   -4.6351     .9693       2.0116   -4.6294     .8786 
             3.4650   -2.1287     .7920       2.3039    -.1560     .8431 
             -.8968    -.0043     .9603      -1.7621   -2.5245     .9874 
             3.6063    -.7281     .7820       -.3876    1.1270     .2094 
              .7332    1.8316     .8211       2.0828    1.1949     .4027 
              .7732    2.8716     .3658      -1.4293    2.0217    -.2837 
             4.9815     .0439     .7598       4.2152   -2.7651     .8557 
            -1.0575     .2466    2.0533      -1.9097    -.2782     .5383 
              .6933    2.0192    2.3355       2.9105    1.8250     .8436 
             2.1628    1.2395    -.7234       -.2685    2.4925    2.6485 
             1.5349    2.6870    2.6415        .8058    1.0481    2.8732 
            -2.5028    1.3481   -1.0776      -2.3319     .7192   -2.2501 
             -.9235    2.7848    -.9461      -1.9140    2.5856     .5686 
            -3.5084    1.4217    -.6320      -3.2316    -.9426   -3.2583 
            -3.4808     .1070   -2.9653      -3.7011     .6837   -3.8978 
            -1.0249     .5577   -2.9298      -4.4013     .0907   -2.3346 
             -.6095    -.4577   -2.7117       -.2829    1.3179   -2.5838 
            -1.1466     .6580   -4.0355 
 
 OBJECT 3 CLASS array TYPE int RANK 1 SHAPE 2 ITEMS   43
          ATTRIBUTE "ref" STRING "positions"
          ATTRIBUTE "element type" STRING "lines"
          DATA FOLLOWS
             0    1      0    5      0    6      1    2      1    7
             2    3      2    8      3    4      3    9      4    5
             4   10      5   11      8   12      8   19      9   12
             9   15     10   13     10   20     10   21     12   18
            13   14     13   17     14   15     14   16     14   22
            15   23     15   24     17   28     17   30     17   31
            22   25     22   26     22   27     28   29     28   32
            29   34     29   36     33   34     34   35     34   37
            36   38     36   39     36   40
 
 OBJECT "molecule" CLASS field
          COMPONENT "data"        VALUE   1
          COMPONENT "positions"   VALUE   2
          COMPONENT "connections" VALUE   3
 
 END