10
name ala.n type np charge -0.463
name ala.hn type hd charge 0.252
name ala.ca type c3 charge 0.035
name ala.ha type h charge 0.048
name ala.c type c2 charge 0.616
name ala.o type o2 charge -0.504
name ala.cb type c3 charge -0.092
name ala.hb1 type h charge 0.036
name ala.hb2 type h charge 0.036
name ala.hb3 type h charge 0.036
9
ala.n ala.hn 1
ala.n ala.ca 1
ala.ca ala.c 1
ala.ca ala.cb 1
ala.ca ala.ha 1
ala.c ala.o 2
ala.cb ala.hb1 1
ala.cb ala.hb2 1
ala.cb ala.hb3 1
0
2
ala.n ala.cb ala.c ala.ca  4 .494427
ala.n ala.cb ala.c ala.ha  4  1.606971
0
