27 lines
1.8 KiB
Plaintext
27 lines
1.8 KiB
Plaintext
24
|
|
Coordinates from ORCA-job orca E -388.652879382448
|
|
C 0.64737938822700 -1.09921718670405 0.85686709045368
|
|
C 0.31733982128646 -0.82342836139276 -0.59244223727547
|
|
C -1.12754151216997 -0.46948061153396 -0.83901806391823
|
|
C -2.02290375312986 -0.05238165513865 0.09026740866907
|
|
C -3.39585541163411 0.31989240679361 -0.21065346535404
|
|
C -4.29749560767682 0.74581092332979 0.70406142696099
|
|
C 1.24914394226896 0.26901691458774 -1.17694644562353
|
|
C 2.70631381610189 0.04460062962392 -0.76116876727508
|
|
C 2.85756245165726 0.10062118199492 0.76494653737732
|
|
C 1.77439396361555 -0.67752783729369 1.46573922873820
|
|
H -0.08506011513723 -1.69668480805877 1.42600122528756
|
|
H 0.51381016378928 -1.76434827488184 -1.16530379886508
|
|
H -1.45390831624019 -0.51971204274654 -1.89485228904994
|
|
H -1.70750413484521 0.02128150353891 1.14682486164677
|
|
H -3.70199516379074 0.24214491799171 -1.27029978860335
|
|
H -5.32506119000694 1.01749970649638 0.41938173928091
|
|
H -4.03009496713055 0.83607523274479 1.77005294439447
|
|
H 1.14887083300267 0.29763643981351 -2.28196782374005
|
|
H 0.90237947210661 1.25712994263288 -0.80216189286168
|
|
H 3.36719990585145 0.79372577572871 -1.24432325969427
|
|
H 3.04006883826032 -0.95204309662101 -1.12582818999294
|
|
H 2.83833403755902 1.15928698263372 1.11654875957152
|
|
H 3.85395054678397 -0.28490856168877 1.07292204176850
|
|
H 1.93066999125115 -0.91908212185052 2.53134975810466
|