24
name arg.n type np charge -0.463
name arg.hn type hd charge 0.252
name arg.ca type c3 charge 0.035
name arg.ha type h charge 0.048
name arg.c type c2 charge 0.616
name arg.o type o2 charge -0.504
name arg.cb type c3 charge -0.080
name arg.hb1 type h charge 0.056
name arg.hb2 type h charge 0.056
name arg.cg type c3 charge -0.103
name arg.hg1 type h charge 0.074
name arg.hg2 type h charge 0.074
name arg.cd type c3 charge -0.228
name arg.hd1 type h charge 0.133
name arg.hd2 type h charge 0.133
name arg.ne type n2 charge -0.324
name arg.he type hd charge 0.269
name arg.cz type c2 charge 0.760
name arg.nh1 type n2 charge -0.624
name arg.nh2 type n2 charge -0.624
name arg.hh11 type hd charge 0.361
name arg.hh12 type hd charge 0.361
name arg.hh21 type hd charge 0.361
name arg.hh22 type hd charge 0.361
23
arg.n arg.hn 1
arg.n arg.ca 1
arg.ca arg.c 1
arg.ca arg.cb 1
arg.ca arg.ha 1
arg.c arg.o 2
arg.cb arg.cg 1
arg.cb arg.hb1 1
arg.cb arg.hb2 1
arg.cg arg.cd 1
arg.cg arg.hg1 1
arg.cg arg.hg2 1
arg.cd arg.ne 1
arg.cd arg.hd1 1
arg.cd arg.hd2 1
arg.ne arg.cz 1
arg.ne arg.he 1
arg.cz arg.nh1 1.5 
arg.cz arg.nh2 1.5
arg.nh1 arg.hh11 1
arg.nh1 arg.hh12 1
arg.nh2 arg.hh21 1
arg.nh2 arg.hh22 1
0
2
arg.n arg.cb arg.c arg.ca  4 .494427
arg.n arg.cb arg.c arg.ha  4  1.606971
0 
