17
name met.n type np charge -0.463
name met.hn type hd charge 0.252
name met.ca type c3 charge 0.035
name met.ha type h charge 0.048
name met.c type c2 charge 0.616
name met.o type o2 charge -0.504
name met.cb type c3 charge -0.151
name met.hb1 type h charge 0.027
name met.hb2 type h charge 0.027
name met.cg type c3 charge -0.054
name met.hg1 type h charge 0.0652
name met.hg2 type h charge 0.0652
name met.sd type s34 charge -0.025
name met.ce type c3 charge -0.134
name met.he1 type h charge 0.0652
name met.he2 type h charge 0.0652
name met.he3 type h charge 0.0652
16
met.n met.hn 1
met.n met.ca 1
met.ca met.c 1
met.ca met.cb 1
met.ca met.ha 1
met.c met.o 2
met.cb met.cg 1
met.cb met.hb1 1
met.cb met.hb2 1
met.cg met.sd 1
met.cg met.hg1 1
met.cg met.hg2 1
met.sd met.ce 1
met.ce met.he1 1
met.ce met.he2 1
met.ce met.he3 1
0
2
met.n met.cb met.c met.ca  4 .494427
met.n met.cb met.c met.ha  4  1.606971
0
