21 lines
1.4 KiB
Plaintext
21 lines
1.4 KiB
Plaintext
18
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Coordinates from ORCA-job orca E -600.685958367595
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N 1.49756180392327 0.60820850467771 -0.11917121116451
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C 1.70537005232148 -0.77803795008431 -0.22791478875050
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N 0.54592498626294 -1.56252180130221 -0.13056862742802
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C 0.30897591113883 1.34775001489424 0.08564351967376
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C -0.80352143179195 0.43236130947638 0.17608392242185
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C -0.67567516728478 -0.95471229559472 0.07356670465139
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N -2.15498552314081 0.64621453663390 0.36198673172827
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C -2.75155807904748 -0.58119131247226 0.36158263014866
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N -1.88291120945114 -1.57828984517161 0.18917317122255
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C 0.67179828587603 -3.01130889436539 -0.21450465107377
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O 2.81626971234805 -1.26103591771284 -0.39809057187419
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O 0.29484795520835 2.57269967744162 0.16368223211334
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H 1.02779300768928 -3.43714122059073 0.74660965011037
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H 2.35634866700380 1.16074534985399 -0.19562133141183
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H -3.83397413742645 -0.70659189741303 0.49265894603103
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H 1.40788600738725 -3.26658794649197 -0.99849567090535
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H -0.32224681066427 -3.43064610449943 -0.45038951026465
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H -2.59171750725239 1.56219036912068 0.47621749947161
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