sim/src/tests/heteroatom_organics/test_CH3AlH2.xyzcmp


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CH3AlH2.mmp
Al -0.641000 0.032000 0.549000
C 0.794000 -0.267000 -0.759000
H -0.572000 1.283000 1.532000
H -1.890000 -0.948000 0.658000
H 0.631000 -1.156000 -1.376000
H 1.767000 -0.378000 -0.263000
H 0.894000 0.594000 -1.434000