next up previous contents index
Next: Index Up: Small molecule library Previous:   Contents   Index


$ \mathbf {Cubane}$

\includegraphics[width=0.3\columnwidth]{library_cubane.eps}
E = -260.364550
@nuclei
1.512493 4.275659 4.489011 6.000000
4.363840 4.333810 5.622963 6.000000
1.623751 1.211054 4.366493 6.000000
2.642507 4.430592 1.639793 6.000000
4.475048 1.269213 5.500434 6.000000
5.493754 4.488765 2.773673 6.000000
5.604974 1.424135 2.651161 6.000000
2.753679 1.366009 1.517231 6.000000
-0.205310 5.472538 5.260492 1.000000
5.039617 5.579642 7.346299 1.000000
-0.000770 -0.164678 5.035001 1.000000
1.873269 5.757529 0.019287 1.000000
5.244362 -0.057803 7.120827 1.000000
7.118222 5.864501 2.105061 1.000000
7.322794 0.227193 1.879745 1.000000
2.077857 0.120316 -0.206162 1.000000
@electrons
1.511722 4.276196 4.489357 1 0.328433
1.511722 4.276196 4.489357 -1 0.328433
4.364143 4.334369 5.623737 1 0.328433
4.364143 4.334369 5.623737 -1 0.328433
1.623022 1.210436 4.366794 1 0.328433
1.623022 1.210436 4.366794 -1 0.328433
2.642162 4.431188 1.639066 1 0.328433
2.642162 4.431188 1.639066 -1 0.328433
4.475393 1.268618 5.501162 1 0.328433
4.475393 1.268617 5.501162 -1 0.328432
5.494484 4.489383 2.773373 1 0.328433
5.494484 4.489383 2.773373 -1 0.328433
5.605745 1.423598 2.650815 1 0.328433
5.605745 1.423598 2.650815 -1 0.328433
2.753375 1.365449 1.516457 1 0.328434
2.753375 1.365450 1.516457 -1 0.328433
2.844639 4.523960 5.279907 1 1.375335
2.844639 4.523960 5.279907 -1 1.375335
1.268139 2.727297 4.557040 1 1.375326
1.268139 2.727297 4.557040 -1 1.375327
1.854234 4.579693 2.988168 1 1.375319
1.854234 4.579692 2.988168 -1 1.375319
4.549178 2.794214 5.861876 1 1.375327
4.549178 2.794214 5.861876 -1 1.375327
2.972640 0.997486 5.138923 1 1.375322
2.972640 0.997486 5.138923 -1 1.375323
5.135245 4.646611 4.292983 1 1.375323
5.135245 4.646611 4.292983 -1 1.375322
4.144890 4.702206 2.001256 1 1.375286
4.144890 4.702206 2.001256 -1 1.375286
5.263234 1.120144 4.152003 1 1.375322
5.263234 1.120144 4.152003 -1 1.375322
5.849450 2.972500 2.583166 1 1.375349
5.849450 2.972500 2.583166 -1 1.375350
1.982214 1.053253 2.847174 1 1.375319
1.982214 1.053253 2.847174 -1 1.375316
2.568377 2.905602 1.278315 1 1.375329
2.568377 2.905602 1.278315 -1 1.375330
4.272854 1.175814 1.860263 1 1.375320
4.272854 1.175814 1.860263 -1 1.375319
0.141814 5.230683 5.104568 1 1.540070
0.141814 5.230683 5.104568 -1 1.540070
4.903055 5.327861 6.998035 1 1.540073
4.903055 5.327861 6.998035 -1 1.540073
0.327525 0.113311 4.899932 1 1.540079
0.327525 0.113311 4.899932 -1 1.540079
2.028718 5.489455 0.346735 1 1.540087
2.028718 5.489455 0.346735 -1 1.540087
5.088886 0.210360 6.793432 1 1.540073
5.088886 0.210360 6.793432 -1 1.540073
6.789918 5.586532 2.240181 1 1.540072
6.789918 5.586532 2.240181 -1 1.540072
6.975647 0.469054 2.035623 1 1.540083
6.975647 0.469054 2.035623 -1 1.540083
2.214405 0.372031 0.142105 1 1.540075
2.214405 0.372031 0.142105 -1 1.540075



Julius 2008-04-29