14
name asn.n type np charge -0.463
name asn.hn type hd charge 0.252
name asn.ca type c3 charge 0.035
name asn.ha type h charge 0.048
name asn.c type c2 charge 0.616
name asn.o type o2 charge -0.504
name asn.cb type c3 charge -0.086
name asn.hb1 type h charge 0.038
name asn.hb2 type h charge 0.038
name asn.cg type c2 charge 0.675
name asn.od1 type o2 charge -0.470
name asn.nd2 type n2 charge -0.867
name asn.hd21 type hd charge 0.344
name asn.hd22 type hd charge 0.344
13
asn.n asn.hn 1
asn.n asn.ca 1
asn.ca asn.c 1
asn.ca asn.cb 1
asn.ca asn.ha 1
asn.c asn.o 2
asn.cb asn.cg 1
asn.cb asn.hb1 1
asn.cb asn.hb2 1
asn.cg asn.od1 2
asn.cg asn.nd2 1
asn.nd2 asn.hd21 1
asn.nd2 asn.hd22 1
0
2
asn.n asn.cb asn.c asn.ca  4 .494427
asn.n asn.cb asn.c asn.ha  4  1.606971
0
