45 lines
229 B
Plaintext
45 lines
229 B
Plaintext
# dimer molecule
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2 atoms
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1 bonds
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Coords
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1 0 0 0
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2 1 0 0
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Types
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1 2
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2 3
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Bonds
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1 1 1 2
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Special Bond Counts
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1 1 0 0
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2 1 0 0
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Special Bonds
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1 2
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2 1
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Shake Flags
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1 2
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2 2
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Shake Atoms
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1 1 2
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2 1 2
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Shake Bond Types
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1 1
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2 1
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