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61 lines
2.5 KiB
61 lines
2.5 KiB
2 years ago
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Coordinates from ORCA-job cmmd E -14.096267802670
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C 1.027500 0.062200 0.072580
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O 0.417130 0.965720 -0.476320
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N 0.412740 -0.961230 0.694340
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N 2.371940 0.005490 0.107030
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H -0.597890 -0.961740 0.694650
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H 0.906810 -1.709270 1.148790
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H 2.877770 0.753250 -0.347240
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H 2.882900 -0.734210 0.556420
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Coordinates from ORCA-job cmmd E -14.097059780970
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C 1.026599 0.063534 0.071775
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O 0.419266 0.962559 -0.474401
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N 0.398871 -0.967664 0.698250
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N 2.385393 0.012539 0.102749
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H -0.604909 -0.967519 0.698158
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H 0.887272 -1.715787 1.152748
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H 2.887134 0.755556 -0.348644
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H 2.899273 -0.723008 0.549615
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Coordinates from ORCA-job cmmd E -14.097116511300
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C 1.024877 0.066081 0.070225
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O 0.419399 0.962364 -0.474282
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N 0.396421 -0.968421 0.698710
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N 2.387385 0.013973 0.101877
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H -0.606385 -0.970819 0.700166
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H 0.886427 -1.715651 1.152664
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H 2.891218 0.754998 -0.348304
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H 2.899558 -0.722314 0.549195
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Coordinates from ORCA-job cmmd E -14.097125149210
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C 1.023481 0.068148 0.068971
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O 0.418597 0.963551 -0.475004
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N 0.396863 -0.968031 0.698473
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N 2.386768 0.013841 0.101957
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H -0.605975 -0.973133 0.701571
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H 0.889287 -1.714066 1.151700
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H 2.893357 0.753537 -0.347418
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H 2.896522 -0.723637 0.549999
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Coordinates from ORCA-job cmmd E -14.097128021000
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C 1.022356 0.069813 0.067959
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O 0.417673 0.964919 -0.475835
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N 0.397723 -0.967429 0.698108
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N 2.385728 0.013504 0.102160
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H -0.605206 -0.975145 0.702795
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H 0.892502 -1.712287 1.150618
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H 2.895012 0.751961 -0.346460
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H 2.893112 -0.725126 0.550905
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Coordinates from ORCA-job cmmd E -14.097128392560
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C 1.022133 0.070143 0.067759
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O 0.417407 0.965313 -0.476075
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N 0.397948 -0.967193 0.697965
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N 2.385377 0.013456 0.102189
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H -0.605000 -0.975768 0.703173
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H 0.893436 -1.711710 1.150267
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H 2.895540 0.751497 -0.346178
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H 2.892060 -0.725528 0.551150
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