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path: root/sim/src/tests/heteroatom_organics/test_ADAM_BH2.xyzcmp
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ADAM_BH2.mmp
C 0.708000 -0.087000 0.000000
C 0.071000 -0.724000 -1.262000
C 0.071000 -0.724000 1.262000
C 0.349000 1.452000 0.000000
B 2.269000 -0.042000 0.000000
C -1.187000 1.628000 0.000000
C -1.459000 -0.538000 -1.261000
C -1.459000 -0.538000 1.261000
C -2.060000 -1.194000 0.000000
C -1.787000 0.971000 -1.259000
C -1.787000 0.971000 1.259000
H 0.502000 -0.278000 -2.169000
H 0.502000 -0.278000 2.169000
H 0.317000 -1.795000 -1.298000
H 0.317000 -1.795000 1.298000
H 0.774000 1.944000 -0.885000
H 0.774000 1.944000 0.885000
H 2.877000 0.022000 -1.031000
H 2.877000 0.022000 1.031000
H -1.418000 2.703000 0.000000
H -1.886000 -1.004000 -2.159000
H -1.886000 -1.004000 2.159000
H -3.152000 -1.083000 0.000000
H -1.847000 -2.272000 0.000000
H -2.874000 1.122000 -1.281000
H -2.874000 1.122000 1.281000
H -1.384000 1.444000 -2.165000
H -1.384000 1.444000 2.165000