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path: root/sim/src/tests/heteroatom_organics/test_C5H10S.xyzcmp
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C5H10S.mmp
S -0.249000 2.132000 0.225000
C 0.439000 0.859000 1.357000
C 0.110000 1.282000 -1.366000
C -0.421000 -0.154000 -1.418000
C -0.133000 -0.538000 1.101000
C 0.166000 -1.052000 -0.315000
H 0.205000 1.204000 2.369000
H 1.532000 0.853000 1.258000
H -0.356000 1.903000 -2.136000
H 1.194000 1.300000 -1.538000
H -0.183000 -0.581000 -2.400000
H -1.515000 -0.137000 -1.331000
H 0.289000 -1.230000 1.844000
H -1.218000 -0.519000 1.261000
H -0.224000 -2.070000 -0.426000
H 1.256000 -1.121000 -0.450000