24 lines
1.6 KiB
Plaintext
24 lines
1.6 KiB
Plaintext
21
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Coordinates from ORCA-job orca E -639.914875175337
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N 1.53899007834429 0.66737559682805 -0.11939972165768
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C 1.71184747960731 -0.73149799673135 -0.24380989533517
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N 0.54220913243193 -1.48958708159492 -0.19068544712616
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C 0.31064286784655 1.37712127001905 0.04949099916803
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C -0.80872893322494 0.47083039517535 0.10047300289585
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C -0.69257508342157 -0.91307328944451 -0.02407898653299
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N -2.16948480654394 0.70206099567192 0.24168057501287
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C -2.76237056413602 -0.52875253739127 0.19815889264365
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N -1.89861252992826 -1.53516164643497 0.03508343247836
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H -3.89297091340134 1.88796376598638 0.29201530583062
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O 2.81529416170695 -1.23931324366702 -0.38989808895912
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O 0.26428517448559 2.60559948674827 0.13276841025064
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C -2.80348771573911 1.99305522870529 0.44883465208184
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C 2.76989590652056 1.44970859663447 -0.18248509752594
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H -3.85099383786286 -0.64261051219635 0.28906419941482
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H 3.28428820668972 1.28244287450528 -1.14892996800075
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H 3.46212068981835 1.14296271136204 0.62562491519906
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H 2.48836183316692 2.51119912797804 -0.07210394583922
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H -2.38731898330817 2.73221557208219 -0.25987565126573
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H -2.61369914694537 2.36426809082463 1.47594329882213
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H 0.64683354959342 -2.50119138126058 -0.28407972165512
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