elsym | elno | atno | atomid | isotope | spin |
x2 |  y2 | x3 | y3 | z3 | xf | yf | zf | 
zl |  za | zt | zmatnos | zmatids |
c13 |
symop |
attyp |
disord | 
chain | resid | resnam | resno | restyp |
occ |
totl   | nonh | numh | 
parity | parids | parnos |
formcharge  |

bondid | atno1  | atno2 | atid | atid1 | atid2 | order | ster | cyclic |
substitute |