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- geometry
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- number of double bonds
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- number of triple bonds
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- rectify type
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- pattern number
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- 3-membered ring check
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- bond length value
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- bond angle value
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- number of open valences
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- number of atoms
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- number of ring bonds
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- atom type name
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- bond defining atom
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- bond length
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- first angle defining atom
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- first angle
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- first atom
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- x coordinate
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