28
name cnp.o3' type o3 charge -0.509
name cnp.o5' type o3 charge -0.509
name cnp.ho5' type hd charge 0.669
name cnp.c5' type c3 charge 0.118
name cnp.h51' type h charge 0.021
name cnp.h52' type h charge 0.021
name cnp.c4' type c3 charge 0.036
name cnp.h4' type h charge 0.056
name cnp.o4' type o3 charge -0.368
name cnp.c1' type c3 charge 0.376
name cnp.h1' type h charge 0.009
name cnp.c2' type c3 charge -0.307
name cnp.h21' type h charge 0.081
name cnp.h22' type h charge 0.081
name cnp.c3' type c3 charge 0.233
name cnp.h3' type h charge 0.025
name cnp.n1 type nr charge -0.187 
name cnp.c2 type c2 charge 0.859
name cnp.o2 type o2 charge -0.508
name cnp.n3 type nr charge -0.860
name cnp.c4 type c2 charge 0.935
name cnp.n4 type np charge -0.834
name cnp.hn41 type hd charge 0.351
name cnp.hn42 type hd charge 0.351
name cnp.c5 type c2 charge -0.576
name cnp.h5 type h charge 0.153
name cnp.c6 type c2 charge 0.185
name cnp.h6 type h charge 0.098
29
cnp.ho5' cnp.o5' 1
cnp.o5' cnp.c5' 1
cnp.c5' cnp.c4' 1
cnp.c5' cnp.h51' 1
cnp.c5' cnp.h52' 1
cnp.c4' cnp.c3' 1
cnp.c4' cnp.o4' 1
cnp.c4' cnp.h4' 1
cnp.c3' cnp.c2' 1
cnp.c3' cnp.o3' 1
cnp.c3' cnp.h3' 1
cnp.c2' cnp.c1' 1
cnp.c2' cnp.h21' 1
cnp.c2' cnp.h22' 1
cnp.c1' cnp.o4' 1
cnp.c1' cnp.n1 1
cnp.c1' cnp.h1' 1
cnp.n1 cnp.c2 1
cnp.n1 cnp.c6 1
cnp.c2 cnp.o2 1.5
cnp.c2 cnp.n3 1.5
cnp.n3 cnp.c4 1.5
cnp.c4 cnp.n4 1
cnp.n4 cnp.hn41 1
cnp.n4 cnp.hn42 1
cnp.c4 cnp.c5 1.5
cnp.c5 cnp.h5 1
cnp.c5 cnp.c6 1.5
cnp.c6 cnp.h6 1
0
6
cnp.c2' cnp.c4' cnp.o3' cnp.c3' 6 .554654
cnp.c2' cnp.c4' cnp.o3' cnp.H3' 6 1.669313
cnp.c3' cnp.c5' cnp.o4' cnp.c4' 6 .554654
cnp.c3' cnp.c5' cnp.o4' cnp.H4' 6 1.669313
cnp.o4' cnp.c2' cnp.h1' cnp.n1  6 1.925983
cnp.o4' cnp.c2' cnp.h1' cnp.c1' 6 .468722

