20
name cds.n type n2 charge -0.463
name cds.hn type hd charge 0.252
name cds.ca type c3 charge 0.035
name cds.ha type h charge 0.048
name cds.c type c2 charge 0.616
name cds.o type o2 charge -0.504
name cds.cb type c3 charge -0.098
name cds.hb1 type h charge 0.0495
name cds.hb2 type h charge 0.0495
name cds.sg type s32 charge 0.015
name cds.n1 type n2 charge -0.463
name cds.hn1 type hd charge 0.252
name cds.ca1 type c3 charge 0.035
name cds.ha1 type h charge 0.048
name cds.c1 type c2 charge 0.616
name cds.o1 type o2 charge -0.504
name cds.cb1 type c3 charge -0.098
name cds.hb11 type h charge 0.0495
name cds.hb21 type h charge 0.0495
name cds.sg1 type s32 charge 0.015
19
cds.sg cds.sg1 1 
cds.n cds.hn 1
cds.n cds.ca 1
cds.ca cds.c 1
cds.ca cds.cb 1
cds.ca cds.ha 1
cds.c cds.o 2
cds.cb cds.sg 1
cds.cb cds.hb1 1
cds.cb cds.hb2 1
cds.n1 cds.hn1 1
cds.n1 cds.ca1 1
cds.ca1 cds.c1 1
cds.ca1 cds.cb1 1
cds.ca1 cds.ha1 1
cds.c1 cds.o1 2
cds.cb1 cds.sg1 1
cds.cb1 cds.hb11 1
cds.cb1 cds.hb21 1
0
2
cds.n cds.cb cds.c cds.ca  4 .494427
cds.n cds.cb cds.c cds.ha  4  1.606971
0
