sim/src/tests/heteroatom_organics/test_CH3NH2.xyzcmp


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CH3NH2.mmp
N -0.771000 0.163000 0.499000
C 0.324000 -0.068000 -0.446000
H -0.569000 0.986000 1.062000
H -0.827000 -0.614000 1.154000
H 0.101000 -0.956000 -1.047000
H 1.323000 -0.209000 0.000000
H 0.388000 0.779000 -1.138000