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path: root/sim/src/tests/heteroatom_organics/test_C5H10O.xyzcmp
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C5H10O.mmp
O -0.172000 1.665000 0.284000
C 0.407000 0.840000 1.291000
C 0.128000 1.199000 -1.027000
C -0.401000 -0.218000 -1.264000
C -0.111000 -0.598000 1.209000
C 0.146000 -1.175000 -0.190000
H 0.151000 1.303000 2.249000
H 1.508000 0.848000 1.193000
H -0.328000 1.917000 -1.715000
H 1.221000 1.220000 -1.188000
H -0.120000 -0.558000 -2.268000
H -1.498000 -0.200000 -1.218000
H 0.367000 -1.209000 1.986000
H -1.189000 -0.596000 1.415000
H -0.302000 -2.170000 -0.291000
H 1.228000 -1.298000 -0.337000