10
name cyx.n type n2 charge -0.463
name cyx.hn type hd charge 0.252
name cyx.ca type c3 charge 0.035
name cyx.ha type h charge 0.048
name cyx.c type c2 charge 0.616
name cyx.o type o2 charge -0.504
name cyx.cb type c3 charge -0.098
name cyx.hb1 type h charge 0.0495
name cyx.hb2 type h charge 0.0495
name cyx.sg type s2 charge 0.824
9
cyx.n cyx.hn 1
cyx.n cyx.ca 1
cyx.ca cyx.c 1
cyx.ca cyx.cb 1
cyx.ca cyx.ha 1
cyx.c cyx.o 2
cyx.cb cyx.sg 1
cyx.cb cyx.hb1 1
cyx.cb cyx.hb2 1
0
2
cyx.n cyx.cb cyx.c cyx.ca  4 .494427
cyx.n cyx.cb cyx.c cyx.ha  4  1.606971
0
