!BIOSYM archive 3
PBC=ON

!DATE     Nov 09 18:00:49 2002
PBC   14.0064    8.6520    4.9952   90.0000   90.0000   90.0000
S1       3.714169746     .633531652    3.467903024 BENZ 1      ?       S    .000
S2       3.723547130    4.953627651     .971113297 BENZ 1      ?       S    .000
C3       2.616001135    6.445192704    1.004045961 METH 1B     c       C    .000
H4       3.239827002    7.344369728    1.001340954 METH 1B     h       H    .000
H5       2.067929781    6.420838288    1.987989802 METH 1B     h       H    .000
C6       2.608027626    2.125933549    3.495462907 METH 1C     c       C    .000
H7       3.233687349    3.023805772    3.492809218 METH 1C     h       H    .000
H8       2.060074822    2.103060684    4.479541592 METH 1C     h       H    .000
C9       1.672154600    2.075025116    2.307620439 METH 1D     c       C    .000
H10       .951363146    2.907290769    2.318359793 METH 1D     h       H    .000
H11      2.254968304    2.144797176    1.348273587 METH 1D     h       H    .000
H12      1.097241564    1.140373015    2.281610410 METH 1D     h       H    .000
C13      1.680123805    6.393721318    -.183595421 METH 1E     c       C    .000
H14       .958903947    7.225481723    -.172877582 METH 1E     h       H    .000
H15      2.263418514    6.464438512   -1.142362946 METH 1E     h       H    .000
H16      1.106523571    5.458373851    -.210595171 METH 1E     h       H    .000
AU17     6.000003338     .000000000    -.000011954 BENZ 1      ?       Au  1.001
AU18     5.999996662    1.445199966    2.503111839 BENZ 1      ?       Au  1.001
AU19     8.359996796    1.445199966    4.171877861 BENZ 1      ?       Au  1.001
AU20     8.360003471     .000000000    1.668754101 BENZ 1      ?       Au  1.001
AU21    10.720003128     .000000000    3.337521076 BENZ 1      ?       Au  1.001
AU22    10.719997406    1.445199966     .834344923 BENZ 1      ?       Au  1.001
AU23     6.000003338    2.890399933    -.000011954 BENZ 1      ?       Au  1.001
AU24     5.999996662    4.335599899    2.503111839 BENZ 1      ?       Au  1.001
AU25     8.359996796    4.335599899    4.171877861 BENZ 1      ?       Au  1.001
AU26     8.360003471    2.890399933    1.668754101 BENZ 1      ?       Au  1.001
AU27    10.720003128    2.890399933    3.337521076 BENZ 1      ?       Au  1.001
AU28    10.719997406    4.335599899     .834344923 BENZ 1      ?       Au  1.001
AU29     6.000003338    5.780799866    -.000011954 BENZ 1      ?       Au  1.001
AU30     5.999996662    7.225999832    2.503111839 BENZ 1      ?       Au  1.001
AU31     8.359996796    7.225999832    4.171877861 BENZ 1      ?       Au  1.001
AU32     8.360003471    5.780799866    1.668754101 BENZ 1      ?       Au  1.001
AU33    10.720003128    5.780799866    3.337521076 BENZ 1      ?       Au  1.001
AU34    10.719997406    7.225999832     .834344923 BENZ 1      ?       Au  1.001
end
end