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example.xyz
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C 1.12888e+01 6.89368e+00 1.35678e+01
C 1.11169e+01 6.93540e+00 1.50563e+01
C 1.05760e+01 5.55673e+00 1.53444e+01
H 1.23102e+01 5.26180e+00 1.28099e+01
H 1.05830e+01 5.07649e+00 1.24738e+01
H 1.04588e+01 7.43178e+00 1.31113e+01
H 1.21271e+01 7.49191e+00 1.32001e+01
H 1.04002e+01 7.75691e+00 1.54364e+01
H 1.20775e+01 7.10998e+00 1.55858e+01
H 9.53182e+00 5.41768e+00 1.50923e+01
H 1.08033e+01 5.18931e+00 1.63317e+01