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// Need to test:
// atomic spin (i.e. radicals)
// stereochemistry
// bond types
// atom types
// fractional coordinate conversion
// internal -> cartesian conversion
// cartesian -> internal conversion
// residue information
// isotopes
// chain information
// chain perception
// bond type perception
// aromatic perception
// ring perception
// chirality perception
// compress / uncompress
// NumRotors
// Builder utils
// H->Methyl
// Add hydrogens
// SetHybAndGeom
// SetLength
// SetTorsion (obrotate)
// Center
// ToIntertialFrame
// Rotate
// Kekulize
// Delete hydrogens
// Add polar hydrogens
// Add pH hydrogens
// strip salts
// obfit
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