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path: root/sim/src/tests/heteroatom_organics/test_C4H8O.xyzcmp
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C4H8O.mmp
O -0.059000 1.291000 -0.515000
C 1.119000 0.482000 -0.387000
C -1.185000 0.589000 0.015000
C -0.805000 -0.893000 -0.023000
C 0.692000 -0.817000 0.321000
H 1.884000 1.033000 0.174000
H 1.517000 0.281000 -1.391000
H -1.386000 0.910000 1.051000
H -2.061000 0.837000 -0.593000
H -1.384000 -1.504000 0.676000
H -0.947000 -1.294000 -1.033000
H 1.269000 -1.684000 -0.012000
H 0.822000 -0.724000 1.405000