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@hokru
Created November 14, 2017 18:28
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test molecule
390
C -13.45899960 -2.60400010 -6.30700020
H -13.88599970 -1.89500000 -5.59700010
O -13.15600010 -3.75399990 -5.56500010
C -11.75599960 -3.65800000 -5.10200020
H -11.61100010 -3.66500000 -4.02199980
N -10.85499950 -4.71799990 -5.69299980
C -11.19999980 -5.35900020 -6.85500000
H -12.22299960 -5.28499980 -7.19199990
C -10.32499980 -6.17399980 -7.50600000
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O -9.26900010 -4.31199980 -4.13500020
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C 0.49000000 11.05200000 -6.06099990
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H 5.30184347 2.20414560 -9.42550812
H 4.94076417 7.56824561 -6.36281465
H 3.06709941 11.28097447 -3.42655451
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