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path: root/sim/src/tests/heteroatom_organics/test_C3H6NH.xyzcmp
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C3H6NH.mmp
N -0.229000 1.225000 0.070000
C -0.243000 0.285000 -1.079000
C -0.278000 0.085000 1.018000
C 0.214000 -0.842000 -0.121000
H -1.018000 1.864000 0.118000
H 0.426000 0.562000 -1.903000
H -1.243000 0.086000 -1.494000
H 0.363000 0.198000 1.901000
H -1.291000 -0.186000 1.358000
H -0.268000 -1.817000 -0.223000
H 1.299000 -0.970000 -0.114000