Accuracy
rep739sys016g10pt100ab
376 rep739sys016g10pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys016g10pt100ab
H=2.508+rep739sys016g10pt100a+rep739sys016g10pt100b HR=NCIA HWT=10
C 0.17069249 +0 -0.41561903 +0 -3.27212031 +0
H -0.26030751 +1 -1.29361903 +0 -3.74412031 +0
H 1.49569249 +0 -1.71261903 +1 -1.75112031 +0
H 1.03669249 +0 -0.07161903 +0 -3.83212031 +0
H -0.57430751 +0 0.37638097 +0 -3.25812031 +0
S 0.59569249 +0 -0.74161903 +0 -1.52812031 +0
C -0.53137926 +0 0.66155101 +0 1.36313861 +0
H -0.17139397 +0 0.21338027 +0 0.43967417 +0
H 0.28883453 +0 0.73349552 +0 2.07477779 +0
H -0.92020465 +0 1.65548838 +0 1.15705048 +0
H -1.32145852 +0 0.04258418 +0 1.78270962 +0