25 lines
1.7 KiB
Plaintext
25 lines
1.7 KiB
Plaintext
22
|
|
Coordinates from ORCA-job orca E -312.580905976161
|
|
C 3.90172289657060 -0.57758748244616 1.16396253500738
|
|
C 2.58153222737980 -0.68507604309336 1.39277004134833
|
|
C 1.55582603527464 0.37539089279092 1.10989671941417
|
|
C 0.48729567273800 -0.06713072950174 0.09508710664243
|
|
C -0.58452947618628 0.99886069246924 -0.15155307910479
|
|
C -1.63184328297240 0.62748294896534 -1.22127322481264
|
|
C -2.47364287876465 -0.56990814822853 -0.87507312088899
|
|
C -3.79631667715506 -0.54119081643226 -0.63517997639839
|
|
H 4.33812487000574 0.34573531525870 0.74594425298751
|
|
H 4.59689427610651 -1.40170482109930 1.38846852846169
|
|
H 2.18931565904929 -1.63282658985812 1.80926400638608
|
|
H 2.05773835896838 1.29949881603018 0.74874312790372
|
|
H 1.04260379555063 0.65134312112542 2.06042179778703
|
|
H 0.98525588121895 -0.32788286385647 -0.86549098540887
|
|
H 0.01363780368524 -1.00673161369500 0.45573784194494
|
|
H -0.08747758488417 1.94521933040905 -0.45983481311499
|
|
H -1.10764495581056 1.22486615030411 0.80419027054621
|
|
H -1.09892275890057 0.43366136614988 -2.18087704030010
|
|
H -2.29441398258462 1.50046185029220 -1.40114621043483
|
|
H -1.94713993920147 -1.54002580126269 -0.80685114062637
|
|
H -4.36971679601950 0.40001105869787 -0.69436291501820
|
|
H -4.35829914406851 -1.45246863301930 -0.37674672232130
|