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path: root/sim/src/tests/jigs_to_several_atoms/test_005_anchors_to_50_atoms.xyzcmp
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Frame 0, Iteration: 100
C 0.187000 1.923004 0.019987
H 0.022985 2.551462 0.901880
H 0.174933 2.455138 -0.931166
O 1.377809 1.144212 0.018409
C 2.583010 1.988985 0.020991
H 2.618877 2.590816 0.930689
H 2.606498 2.569832 -0.902617
O 3.686944 1.021523 -0.021362
C 4.967997 1.754980 0.021005
H 5.063178 2.222039 1.003328
H 5.103400 2.402003 -0.845962
O 5.944410 0.670079 0.000817
C 7.305990 1.223998 0.021003
H 7.459536 1.698747 0.997157
H 7.514221 1.864545 -0.839125
O 8.129486 0.078432 -0.006222
C 9.558003 0.404002 0.020991
H 9.822510 0.918161 0.944923
H 9.767409 0.920902 -0.916041
O 10.261215 -0.865155 0.008202
C 11.690007 -0.690998 0.021005
H 12.023505 -0.227111 0.956617
H 12.106192 -0.156717 -0.836277
O 12.216182 -2.009034 -0.003303
C 13.668003 -2.045001 0.020994
H 14.073847 -1.520830 0.886681
H 14.003868 -1.637710 -0.932944
O 13.976003 -3.444636 -0.024512
C 15.459989 -3.637004 0.019983
H 15.881760 -3.125541 0.888300
H 15.892557 -3.238618 -0.900418
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C 17.038016 -5.440996 0.020003
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H 20.751668 -11.676253 0.981537
H 20.887321 -11.626730 -0.850496
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C 20.774995 -14.168017 0.021005
H 21.369329 -14.114445 0.935432
H 21.317125 -14.154556 -0.925525
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C 20.991002 -16.554994 0.021017
H 21.581642 -16.562843 0.938469
H 21.674783 -16.450802 -0.832971
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C 20.905972 -18.951001 0.019984
H 21.542173 -19.047531 0.900214
H 21.428997 -18.959382 -0.938460
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C 20.521985 -21.317010 0.021006
H 20.965881 -21.415562 1.011606
H 21.226241 -21.452694 -0.799888
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C 19.843985 -23.616005 0.022011
H 20.354118 -23.807652 0.968482
H 20.444547 -23.759746 -0.876317
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C 18.883987 -25.812982 0.020004
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C 17.657001 -27.870998 0.020013
H 18.058341 -28.139886 1.003610
H 18.232104 -28.265479 -0.820977
O 16.290750 -28.265761 -0.035645
C 16.180988 -29.759974 0.022008
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H 16.669719 -30.080314 -0.898462
O 14.758320 -30.068137 -0.043382
C 14.479988 -31.449020 0.021006
H 14.837424 -31.900315 0.961445
H 14.897010 -31.939324 -0.858906
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C 12.580003 -32.911009 0.020004
H 12.911113 -33.430855 0.920768
H 12.925327 -33.455641 -0.858863
O 11.137993 -32.817808 0.019077
C 10.512993 -34.124004 0.020998
H 10.776747 -34.645555 0.941107
H 10.783413 -34.756040 -0.835118
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C 8.310010 -35.067990 0.020990
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H 8.556655 -35.609112 -0.893371
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