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Original file line number | Diff line number | Diff line change |
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HEADER UNCLASSIFIED 22-Mar-18 | ||
TITLE ALL ATOM STRUCTURE FOR MOLECULE UNK | ||
AUTHOR GROMOS AUTOMATIC TOPOLOGY BUILDER REVISION 2018-03-21 09:35:17 | ||
AUTHOR 2 http://compbio.biosci.uq.edu.au/atb | ||
HETATM 1 H1 GGZZ 0 -2.370 0.749 0.000 1.00 0.00 H | ||
HETATM 2 C2 GGZZ 0 -1.333 0.421 -0.000 1.00 0.00 C | ||
HETATM 3 C11 GGZZ 0 -0.302 1.365 -0.002 1.00 0.00 C | ||
HETATM 4 H12 GGZZ 0 -0.536 2.427 0.001 1.00 0.00 H | ||
HETATM 5 C3 GGZZ 0 -1.031 -0.944 0.002 1.00 0.00 C | ||
HETATM 6 H4 GGZZ 0 -1.834 -1.678 -0.001 1.00 0.00 H | ||
HETATM 7 C5 GGZZ 0 0.302 -1.365 0.002 1.00 0.00 C | ||
HETATM 8 H6 GGZZ 0 0.536 -2.427 -0.001 1.00 0.00 H | ||
HETATM 9 C7 GGZZ 0 1.333 -0.421 0.000 1.00 0.00 C | ||
HETATM 10 H8 GGZZ 0 2.370 -0.749 -0.000 1.00 0.00 H | ||
HETATM 11 C9 GGZZ 0 1.031 0.944 -0.002 1.00 0.00 C | ||
HETATM 12 H10 GGZZ 0 1.834 1.678 0.001 1.00 0.00 H | ||
CONECT 1 2 | ||
CONECT 2 1 3 5 | ||
CONECT 3 2 4 11 | ||
CONECT 4 3 | ||
CONECT 5 2 6 7 | ||
CONECT 6 5 | ||
CONECT 7 5 8 9 | ||
CONECT 8 7 | ||
CONECT 9 7 10 11 | ||
CONECT 10 9 | ||
CONECT 11 3 9 12 | ||
CONECT 12 11 | ||
END |
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