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path: root/sim/src/tests/heteroatom_organics/test_C3H6BH.xyzcmp
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C3H6BH.mmp
B 0.324000 0.897000 -0.040000
C 0.067000 -0.217000 -1.138000
C 0.171000 -0.155000 1.133000
C -0.084000 -1.244000 0.035000
H 0.545000 2.072000 -0.083000
H 0.903000 -0.410000 -1.823000
H -0.823000 -0.083000 -1.767000
H 1.060000 -0.315000 1.757000
H -0.664000 0.019000 1.825000
H -1.071000 -1.713000 0.094000
H 0.663000 -2.045000 0.023000