23 lines
1.5 KiB
Plaintext
23 lines
1.5 KiB
Plaintext
20
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Coordinates from ORCA-job orca E -311.401701952637
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C 3.19627126563153 -0.36078785690199 0.26933758644609
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C 1.96021298613156 0.02283061375251 0.63096916481008
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C 0.72169222894452 -0.09252330640319 -0.22436371024584
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C 0.11409946538257 1.27590971210852 -0.47458041954335
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C -1.20696513762284 1.53870174484447 -0.40428601737048
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C -2.24894452960019 0.48859648797178 -0.11960763353691
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C -1.68293341419534 -0.93085433641868 -0.25960404498466
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C -0.31264074871820 -1.04472418907323 0.41671077787623
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H 4.05751304347875 -0.25165237407211 0.94695163603016
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H 3.39184170566108 -0.80157950643482 -0.72317800322828
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H 1.79993318309935 0.46372940482585 1.63328008940251
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H 1.03497810907232 -0.51674350495154 -1.20834050520565
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H 0.82067855992916 2.08745730273006 -0.71844411436120
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H -1.55807371306207 2.57112814443459 -0.57541115611559
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H -2.65742526702784 0.64208194389701 0.90731505231107
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H -3.11923257862998 0.63114445713464 -0.79701755000241
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H -2.38925034301641 -1.67350339305698 0.16566528662643
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H -1.57704780454724 -1.17724384293764 -1.33914252168776
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H 0.07016985695913 -2.08513340536789 0.37869469728156
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H -0.41487886786988 -0.78683209608138 1.49505038549798
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