Add a random sample .xyz molecule
Browse files
molecule-samples/molecule.xyz
ADDED
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| 1 |
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6
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| 2 |
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gdb 10 159.03567 9.22327 9.22324 3.8266 24.45 -0.3264 0.0376 0.364 160.7223 0.045286 -132.71815 -132.714563 -132.713619 -132.742149 10.287
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| 3 |
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C -0.0178862937 1.4671278689 0.0101131129 -0.490926
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| 4 |
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C 0.0017381887 0.0103525955 0.0020758794 0.247402
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| 5 |
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N 0.017652353 -1.1445292595 -0.00420445 -0.285473
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| 6 |
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H 1.0020294117 1.8608992682 0.0024540105 0.17634
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| 7 |
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H -0.5439884752 1.8447990128 -0.8707545998 0.176328
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| 8 |
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H -0.5270778345 1.8351816641 0.9048632871 0.176329
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| 9 |
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394.1704 394.2399 931.367 1060.6824 1060.7287 1409.4899 1472.2954 1472.4122 2372.3324 3053.8723 3128.2217 3128.3415
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| 10 |
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CC#N CC#N
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| 11 |
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InChI=1S/C2H3N/c1-2-3/h1H3 InChI=1S/C2H3N/c1-2-3/h1H3
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