#Pentanol

18 atoms
17 bonds
31 angles
39 dihedrals
0 impropers


Coords

1	-2.232445	-0.89801	-0.05023
2	-1.075287	0.029403	0.324547
3	-3.194063	-0.477869	0.269401
4	-2.26869	-1.045901	-1.13493
5	-2.122218	-1.875533	0.432629
6	0.280589	-0.509632	-0.131212
7	-1.053892	0.151901	1.420705
8	0.390968	-1.532068	0.255945
9	0.267392	-0.584894	-1.22759
10	1.476651	0.340584	0.315503
11	1.346436	1.361487	-0.05935
12	1.479153	0.410292	1.412571
13	2.819217	-0.223997	-0.162531
14	3.65555	0.399156	0.1726
15	2.986199	-1.238354	0.220426
16	2.860336	-0.273232	-1.257228
17	-1.234902	1.322228	-0.284466
18	-2.080314	1.697104	-0.005908

Types

1	1
2	2
3	3
4	3
5	3
6	4
7	3
8	3
9	3
10	4
11	3
12	3
13	1
14	3
15	3
16	3
17	5
18	6

Masses

1	12.011
2	12.011
3	1.008
4	1.008
5	1.008
6	12.011
7	1.008
8	1.008
9	1.008
10	12.011
11	1.008
12	1.008
13	12.011
14	1.008
15	1.008
16	1.008
17	15.9994
18	1.008

Charges

1	-0.18
2	0.205
3	0.06
4	0.06
5	0.06
6	-0.12
7	0.06
8	0.06
9	0.06
10	-0.12
11	0.06
12	0.06
13	-0.18
14	0.06
15	0.06
16	0.06
17	-0.683
18	0.418

Bonds

1	1	1	2	#CC
2	2	1	3	#CH
3	2	1	4	#CH
4	2	1	5	#CH
5	1	2	6	#CC
6	2	2	7	#CH
7	3	2	17	#CO
8	2	6	8	#CH
9	2	6	9	#CH
10	1	6	10	#CC
11	2	10	11	#CH
12	2	10	12	#CH
13	1	10	13	#CC
14	2	13	14	#CH
15	2	13	15	#CH
16	2	13	16	#CH
17	4	17	18	#OH

Angles

1	1	2	1	3	#CCH
2	1	2	1	4	#CCH
3	1	2	1	5	#CCH
4	2	3	1	4	#HCH
5	2	3	1	5	#HCH
6	2	4	1	5	#HCH
7	3	1	2	6	#CCC
8	1	1	2	7	#CCH
9	4	1	2	17	#CCO
10	1	6	2	7	#CCH
11	4	6	2	17	#CCO
12	5	7	2	17	#HCO
13	1	2	6	8	#CCH
14	1	2	6	9	#CCH
15	3	2	6	10	#CCC
16	2	8	6	9	#HCH
17	1	8	6	10	#CCH
18	1	9	6	10	#CCH
19	1	6	10	11	#CCH
20	1	6	10	12	#CCH
21	3	6	10	13	#CCC
22	2	11	10	12	#HCH
23	1	11	10	13	#CCH
24	1	12	10	13	#CCH
25	1	10	13	14	#CCH
26	1	10	13	15	#CCH
27	1	10	13	16	#CCH
28	2	14	13	15	#HCH
29	2	14	13	16	#HCH
30	2	15	13	16	#HCH
31	6	2	17	18	#COH

Dihedrals

1	1	3	1	2	6	#HCCC
2	2	3	1	2	7	#HCCH
3	3	3	1	2	17	#HCCO
4	1	4	1	2	6	#HCCC
5	2	4	1	2	7	#HCCH
6	3	4	1	2	17	#HCCO
7	1	5	1	2	6	#HCCC
8	2	5	1	2	7	#HCCH
9	3	5	1	2	17	#HCCO
10	1	1	2	6	8	#HCCC
11	1	1	2	6	9	#HCCC
12	4	1	2	6	10	#CCCC
13	2	7	2	6	8	#HCCH
14	2	7	2	6	9	#HCCH
15	1	7	2	6	10	#HCCC
16	3	17	2	6	8	#HCCO
17	3	17	2	6	9	#HCCO
18	1	17	2	6	10	#HCCC
19	5	1	2	17	18	#CCOH
20	5	6	2	17	18	#CCOH
21	6	7	2	17	18	#HCOH
22	1	2	6	10	11	#HCCC
23	1	2	6	10	12	#HCCC
24	4	2	6	10	13	#CCCC
25	2	8	6	10	11	#HCCH
26	2	8	6	10	12	#HCCH
27	1	8	6	10	13	#HCCC
28	2	9	6	10	11	#HCCH
29	2	9	6	10	12	#HCCH
30	1	9	6	10	13	#HCCC
31	1	6	10	13	14	#HCCC
32	1	6	10	13	15	#HCCC
33	1	6	10	13	16	#HCCC
34	2	11	10	13	14	#HCCH
35	2	11	10	13	15	#HCCH
36	2	11	10	13	16	#HCCH
37	2	12	10	13	14	#HCCH
38	2	12	10	13	15	#HCCH
39	2	12	10	13	16	#HCCH