20
name phe.n type np charge -0.463
name phe.hn type hd charge 0.252
name phe.ca type c3 charge 0.035
name phe.ha type h charge 0.048
name phe.c type c2 charge 0.616
name phe.o type o2 charge -0.504
name phe.cb type c3 charge -0.100
name phe.hb1 type h charge 0.108
name phe.hb2 type h charge 0.108
name phe.cg type c2 charge -0.100
name phe.cd1 type c2 charge -0.150
name phe.cd2 type c2 charge -0.150
name phe.ce1 type c2 charge -0.150
name phe.ce2 type c2 charge -0.150
name phe.cz type c2 charge -0.150
name phe.hd1 type h charge 0.150
name phe.hd2 type h charge 0.150
name phe.he1 type h charge 0.150
name phe.he2 type h charge 0.150
name phe.hz type h charge 0.150
20
phe.n phe.hn 1
phe.n phe.ca 1
phe.ca phe.c 1
phe.ca phe.cb 1
phe.ca phe.ha 1
phe.c phe.o 2
phe.cb phe.cg 1
phe.cb phe.hb1 1
phe.cb phe.hb2 1
phe.cg phe.cd1 1.5
phe.cg phe.cd2 1.5
phe.cd1 phe.ce1 1.5
phe.cd2 phe.ce2 1.5
phe.ce1 phe.cz 1.5
phe.ce2 phe.cz 1.5
phe.cd1 phe.hd1 1
phe.cd2 phe.hd2 1
phe.ce1 phe.he1 1
phe.ce2 phe.he2 1
phe.cz phe.hz 1
0
2
phe.n phe.cb phe.c phe.ca  4 .494427
phe.n phe.cb phe.c phe.ha  4  1.606971
0

