27 lines
1.8 KiB
Plaintext
27 lines
1.8 KiB
Plaintext
24
|
|
Coordinates from ORCA-job orca E -388.639627361464
|
|
C 2.62457118802712 0.79844838291603 -0.17818998735769
|
|
C 1.98376861468724 -0.19525736607670 0.46149350554353
|
|
C 0.53273321985815 -0.59108015911611 0.33800061881057
|
|
C 0.44763497818035 -1.96359548815915 -0.37367223558786
|
|
C -0.96029827122278 -2.38729349504896 -0.68582782518799
|
|
C -2.00520374928334 -1.53892443707581 -0.63863612066038
|
|
C -1.86351048068580 -0.08156403071791 -0.29892600873465
|
|
C -0.40291659624237 0.43348824942020 -0.34490106555674
|
|
C -0.35071397568646 1.80224817801364 0.28519048709442
|
|
C -0.37918172750428 2.96851444245403 -0.38165232862296
|
|
H 3.70504484475049 0.95594843035855 -0.03430950122155
|
|
H 2.10576793761568 1.49846486287539 -0.84979225173852
|
|
H 2.57455150164933 -0.85553242120237 1.12453857878522
|
|
H 0.14009836732568 -0.74309010861303 1.37245656744540
|
|
H 0.94786046090547 -2.73669404418482 0.25045666593179
|
|
H 1.04797451143105 -1.92393346428424 -1.31284148375734
|
|
H -1.12426906525823 -3.44207805936492 -0.96510863237746
|
|
H -3.02074809844449 -1.91052014335833 -0.85842552252639
|
|
H -2.48313621004021 0.53661853053448 -0.98387499992504
|
|
H -2.29203284231377 0.10909204844037 0.71406732443914
|
|
H -0.10714252802868 0.51759458054956 -1.41532874748531
|
|
H -0.34488138852535 1.81544024575821 1.39196012544904
|
|
H -0.38550708908991 2.99784069938985 -1.48485576697515
|
|
H -0.39046260210489 3.93586556649205 0.14397360421593
|