@<TRIPOS>MOLECULE
71314316
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.1565     1.1618    -0.4840	O.3	1	noname	-0.2168
2	O2    -2.7632     0.4851     1.5767	O.2	1	noname	-0.2532
3	C1     4.3053     2.0755    -0.3947	C.3	1	noname	-0.0430
4	C2     4.2018     0.5492    -0.3722	C.3	1	noname	0.0068
5	C3    -1.2337    -0.9749     0.4170	C.3	1	noname	0.0696
6	C4     2.8095     0.1588    -0.1700	C.2	1	noname	-0.0569
7	C5     0.1585    -0.5845     0.2148	C.2	1	noname	-0.0567
8	C6    -1.3455    -1.7623     1.6413	C.3	1	noname	-0.0398
9	C7     2.3181    -0.0211     1.1177	C.2	1	noname	-0.0623
10	C8     1.9755    -0.0330    -1.2653	C.2	1	noname	-0.0623
11	C9     0.9926    -0.3927     1.3101	C.2	1	noname	-0.0549
12	C10     0.6500    -0.4047    -1.0729	C.2	1	noname	-0.0549
13	C11     5.7643     2.4846    -0.6065	C.3	1	noname	-0.0624
14	C12     3.4498     2.6279    -1.5366	C.3	1	noname	-0.0624
15	C13    -2.1028     0.2787     0.5356	C.2	1	noname	0.1387
16	C14    -0.4764    -3.0159     1.5227	C.3	1	noname	-0.0643
17	H1     3.9492     2.4779     0.5536	H	1	noname	0.0300
18	H2     4.5579     0.1468    -1.3205	H	1	noname	0.0318
19	H3     4.8112     0.1556     0.4413	H	1	noname	0.0318
20	H4    -1.5705    -1.5716    -0.4308	H	1	noname	0.0459
21	H5    -2.3849    -2.0538     1.7922	H	1	noname	0.0275
22	H6    -1.0087    -1.1656     2.4891	H	1	noname	0.0275
23	H7     2.9301     0.1197     1.9214	H	1	noname	0.0625
24	H8     2.3361     0.0990    -2.2103	H	1	noname	0.0625
25	H9     0.6320    -0.5247     2.2551	H	1	noname	0.0625
26	H10     0.0379    -0.5454    -1.8766	H	1	noname	0.0625
27	H11     5.8381     3.5720    -0.6226	H	1	noname	0.0233
28	H12     6.1205     2.0822    -1.5549	H	1	noname	0.0233
29	H13     6.3738     2.0911     0.2070	H	1	noname	0.0233
30	H14     3.5236     3.7153    -1.5526	H	1	noname	0.0233
31	H15     2.4104     2.3365    -1.3857	H	1	noname	0.0233
32	H16     3.8060     2.2255    -2.4849	H	1	noname	0.0233
33	H17    -0.5599    -3.6038     2.4368	H	1	noname	0.0231
34	H18    -0.8132    -3.6126     0.6749	H	1	noname	0.0231
35	H19     0.5630    -2.7245     1.3718	H	1	noname	0.0231
36	H20    -2.3131     2.1119    -0.3016	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	15	1
2	1	36	1
3	2	15	2
4	3	4	1
5	3	13	1
6	3	14	1
7	3	17	1
8	4	6	1
9	4	18	1
10	4	19	1
11	5	7	1
12	5	8	1
13	5	15	1
14	5	20	1
15	6	9	2
16	6	10	1
17	7	11	2
18	7	12	1
19	8	16	1
20	8	21	1
21	8	22	1
22	9	11	1
23	9	23	1
24	10	12	2
25	10	24	1
26	11	25	1
27	12	26	1
28	13	27	1
29	13	28	1
30	13	29	1
31	14	30	1
32	14	31	1
33	14	32	1
34	16	33	1
35	16	34	1
36	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1