8
name pca.n type np charge -0.463
name pca.hn type hd charge 0.252
name pca.hn2 type hd charge 0.252
name pca.ca type c3 charge 0.035
name pca.ha1 type h charge 0.032
name pca.ha2 type h charge 0.032
name pca.c type c2 charge 0.616
name pca.o type o2 charge -0.504
7
pca.n pca.hn 1
pca.n pca.hn2 1
pca.n pca.ca 1
pca.ca pca.ha1 1
pca.ca pca.ha2 
pca.ca pca.c 1
pca.c pca.o 2

