Mercurial > repos > bgruening > silicos_it
view align-it/test_data/align-it_Search_on_CID2244.phar @ 21:c1e74b30da3f
ChemicalToolBoX update.
| author | Bjoern Gruening <bjoern.gruening@gmail.com> |
|---|---|
| date | Mon, 22 Jul 2013 18:41:18 +0200 |
| parents | 987524196f3e |
| children |
line wrap: on
line source
NAME HYBL 5.135 0.2327 0 0.7 0 -2.66454e-15 -2.77556e-17 0 HDON 7.801 -0.2881 0 1 1 8.66511 -0.791402 0 HDON 6.895 1.2674 0 1 1 6.88356 2.26733 0 HDON 2.5369 -1.2673 0 1 1 1.67086 -1.76727 0 HACC 7.3849 -1.6737 0 1 1 7.87483 -2.54546 0 HACC 6.385 -1.6622 0 1 1 5.87501 -2.52238 0 HACC 3.903 -1.6333 0 1 1 4.40301 -2.49932 0 HACC 2.903 0.0987 0 1 1 2.40299 0.964719 0 $$$$ NAME HYBL 5.07563 0.248657 0 0.7 0 4.00384 3.9265 0 HDON 6.81996 1.22708 0 1 1 7.67971 0.716361 0 HDON 2.45909 -1.2189 0 1 1 1.58692 -1.7081 0 HYBH 6.78268 -1.77271 0 1 1 6.77024 -2.77263 0 HACC 3.82046 -1.60188 0 1 1 4.30966 -2.47405 0 HACC 2.84207 0.142469 0 1 1 2.35288 1.01464 0 $$$$ NAME HYBL 5.03878 0.168252 0 0.7 0 8.92097 14.6352 0 HACC 6.15373 -1.49215 0 1 1 5.71359 -2.39008 0 HACC 4.15822 -1.6275 0 1 1 3.16052 -1.69523 0 HACC 3.04334 0.0328893 0 1 1 2.60305 -0.864963 0 $$$$ NAME HYBL 5.13502 0.232688 0 0.7 0 -3.05555 -1.88732 0 HDON 7.80105 -0.28811 0 1 1 8.66519 -0.79137 0 HDON 6.89495 1.26739 0 1 1 6.88332 2.26732 0 HDON 2.53695 -1.26731 0 1 1 1.67093 -1.76732 0 HACC 7.38495 -1.67371 0 1 1 7.87496 -2.54543 0 HACC 6.38495 -1.66211 0 1 1 5.87492 -2.52227 0 HACC 3.90295 -1.63331 0 1 1 4.40296 -2.49933 0 HACC 2.90295 0.0986875 0 1 1 2.40294 0.964706 0 $$$$ NAME HYBL 4.88436 -0.25257 0 0.7 0 -1.23357 -0.0488526 0 HACC 6.64188 -1.29137 0 1 1 6.62805 -2.29128 0 HACC 3.07408 0.556457 0 1 1 2.76569 1.50771 0 $$$$ NAME HYBL 4.88439 -0.252571 0 0.7 0 -0.527205 -0.0505055 0 HACC 6.64184 -1.29138 0 1 1 6.62781 -2.29129 0 HACC 3.07406 0.556469 0 1 1 2.76567 1.50773 0 $$$$