24
name trp.n type np charge -0.463
name trp.hn type hd charge 0.252
name trp.ca type c3 charge 0.035
name trp.ha type h charge 0.048
name trp.c type c2 charge 0.616
name trp.o type o2 charge -0.504
name trp.cb type c3 charge -0.098
name trp.hb1 type h charge 0.038
name trp.hb2 type h charge 0.038
name trp.cg type c2 charge -0.135
name trp.cd1 type c2 charge 0.044
name trp.cd2 type c2 charge 0.146
name trp.ne1 type nr charge -0.352
name trp.ce2 type c2 charge 0.154
name trp.ce3 type c2 charge -0.173
name trp.cz2 type c2 charge -0.168
name trp.cz3 type c2 charge -0.066
name trp.ch2 type c2 charge -0.077
name trp.hd1 type h charge 0.093
name trp.he1 type hd charge 0.271
name trp.he3 type h charge 0.086
name trp.hz2 type h charge 0.084
name trp.hz3 type h charge 0.057
name trp.hh2 type h charge 0.074
25
trp.n trp.hn 1
trp.n trp.ca 1
trp.ca trp.c 1
trp.ca trp.cb 1
trp.ca trp.ha 1
trp.c trp.o 2
trp.cb trp.cg 1
trp.cb trp.hb1 1
trp.cb trp.hb2 1
trp.cg trp.cd1 1.5
trp.cg trp.cd2 1.5
trp.cd1 trp.ne1 1.5
trp.ne1 trp.ce2 1.5
trp.cd2 trp.ce2 1.5
trp.cd2 trp.ce3 1.5
trp.ce2 trp.cz2 1.5
trp.ce3 trp.cz3 1.5
trp.cz2 trp.ch2 1.5
trp.cz3 trp.ch2 1.5
trp.cd1 trp.hd1 1
trp.ne1 trp.he1 1
trp.ce3 trp.he3 1
trp.cz2 trp.hz2 1
trp.cz3 trp.hz3 1
trp.ch2 trp.hh2 1
0
2
trp.n trp.cb trp.c trp.ca  4 .494427
trp.n trp.cb trp.c trp.ha  4  1.606971
0
