diff options
Diffstat (limited to 'sci-chemistry/jmol/files/caffeine.xyz')
| -rw-r--r-- | sci-chemistry/jmol/files/caffeine.xyz | 26 |
1 files changed, 26 insertions, 0 deletions
diff --git a/sci-chemistry/jmol/files/caffeine.xyz b/sci-chemistry/jmol/files/caffeine.xyz new file mode 100644 index 000000000..f0325b049 --- /dev/null +++ b/sci-chemistry/jmol/files/caffeine.xyz @@ -0,0 +1,26 @@ +24 +Caffeine +H -3.3804130 -1.1272367 0.5733036 +N 0.9668296 -1.0737425 -0.8198227 +C 0.0567293 0.8527195 0.3923156 +N -1.3751742 -1.0212243 -0.0570552 +C -1.2615018 0.2590713 0.5234135 +C -0.3068337 -1.6836331 -0.7169344 +C 1.1394235 0.1874122 -0.2700900 +N 0.5602627 2.0839095 0.8251589 +O -0.4926797 -2.8180554 -1.2094732 +C -2.6328073 -1.7303959 -0.0060953 +O -2.2301338 0.7988624 1.0899730 +H 2.5496990 2.9734977 0.6229590 +C 2.0527432 -1.7360887 -1.4931279 +H -2.4807715 -2.7269528 0.4882631 +H -3.0089039 -1.9025254 -1.0498023 +H 2.9176101 -1.8481516 -0.7857866 +H 2.3787863 -1.1211917 -2.3743655 +H 1.7189877 -2.7489920 -1.8439205 +C -0.1518450 3.0970046 1.5348347 +C 1.8934096 2.1181245 0.4193193 +N 2.2861252 0.9968439 -0.2440298 +H -0.1687028 4.0436553 0.9301094 +H 0.3535322 3.2979060 2.5177747 +H -1.2074498 2.7537592 1.7203047 |