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H -3.83999243 1.70054365 1.89175131 -0.08789401 -1.30895233 -0.37648950
27
Lattice="50.0 0.0 0.0 0.0 50.0 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3 dihedrals="163.91 137.25 269.8" energy=-17660.245051013797 pbc="F F F"
C 0.46899525 0.76201068 1.81428587 -1.96086488 -0.52141644 -1.34006832
C -0.84163838 1.10903352 1.36852149 0.42203480 0.18701910 -0.35896491
C 0.90855745 1.50149311 2.90454437 2.74316749 -0.05473905 1.41214960
H 1.08968304 -0.06208922 1.34594108 -0.94055490 1.02343486 0.72140661
C -1.48940187 2.26976416 1.91014066 -0.14233994 0.17914339 0.84069474
O -1.67604667 0.52716699 0.42825591 1.76218685 -0.70699854 -0.51463076
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H -3.21961634 3.35295133 1.88995649 -0.56657725 0.94553358 0.90418832
C 0.23453273 2.58031374 3.42358340 -2.01022216 -0.24851538 -1.20959047
H 0.58818964 3.12228573 4.27895095 0.27110233 0.29378084 0.33156688
H 1.89140885 1.26675695 3.41349688 -1.06039994 0.07047625 -0.86539224
C -1.15770130 -0.45611141 -0.53772340 -1.34190566 -1.32570421 3.33499252
C -2.24007479 -1.54409934 -0.56190569 1.12519029 -0.88316870 1.17873775
H -0.20395816 -0.93057315 -0.23230786 -0.29955600 0.54109129 0.10908471
H -1.04431510 0.00832444 -1.46483789 0.18489825 0.93977446 -1.73542863
C -3.23431540 -1.46853396 -1.50934594 -1.50339982 -1.60413724 0.14309091
C -2.20064391 -2.66528431 0.32409740 -0.38123516 -1.09400549 -1.08031824
C -4.19727635 -2.47930075 -1.64379812 0.69486042 -1.04823814 0.76501318
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C -4.06980302 -3.66839286 -0.84665730 -0.79687473 -0.54233670 -1.59718264
H -4.94041451 -2.41778895 -2.45644616 0.23207732 -0.07640140 0.59772393
C -3.05364966 -3.83172208 0.08901800 1.13385029 3.86618403 -0.34959494
H -4.71822686 -4.55418630 -1.11722367 0.61555121 1.08785171 0.45610835
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