@<TRIPOS>MOLECULE
73425516
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0270    -0.3120     3.1840	O.3	1	noname	-0.2007
2	O2     1.4201    -1.0949     5.2249	O.2	1	noname	-0.2527
3	C1     2.2410     1.0471    -0.1622	C.3	1	noname	-0.0258
4	C2     1.6324     2.2565     0.6442	C.3	1	noname	-0.0323
5	C3     0.7366     0.6150    -0.3273	C.3	1	noname	-0.0123
6	C4     0.2942     2.1131    -0.1492	C.3	1	noname	-0.0426
7	C5     1.2636     1.9023     2.1269	C.3	1	noname	-0.0188
8	C6     0.2447    -0.1079     0.8752	C.2	1	noname	-0.0628
9	C7     0.4684     0.5479     2.1886	C.3	1	noname	0.0886
10	C8     3.0201     1.3991    -1.4630	C.3	1	noname	-0.0591
11	C9     3.2892     0.0742     0.4643	C.3	1	noname	-0.0591
12	C10    -0.5082    -1.2229     0.8126	C.2	1	noname	-0.0786
13	C11     0.7850    -0.2767     4.5358	C.2	1	noname	0.1435
14	C12    -0.0318     0.7251     5.2737	C.3	1	noname	0.0395
15	C13    -1.5162     0.9120     4.9014	C.3	1	noname	-0.0534
16	C14     0.6760     2.0812     5.2447	C.3	1	noname	-0.0534
17	H1     2.1363     3.2175     0.5594	H	1	noname	0.0309
18	H2     0.4321     0.1833    -1.2791	H	1	noname	0.0355
19	H3    -0.5460     2.1640     0.5433	H	1	noname	0.0276
20	H4     0.2699     2.6798    -1.0800	H	1	noname	0.0276
21	H5     0.6545     2.7008     2.5505	H	1	noname	0.0299
22	H6     2.1571     1.8571     2.7494	H	1	noname	0.0299
23	H7    -0.5334     0.8544     2.4243	H	1	noname	0.0658
24	H8     3.3884     0.4831    -1.9251	H	1	noname	0.0236
25	H9     3.5683    -0.6812    -0.2702	H	1	noname	0.0236
26	H10     2.8567    -0.4117     1.3389	H	1	noname	0.0236
27	H11     4.1745     0.6364     0.7615	H	1	noname	0.0236
28	H12     2.3553     1.9140    -2.1566	H	1	noname	0.0236
29	H13     3.8621     2.0466    -1.2183	H	1	noname	0.0236
30	H14    -0.8629    -1.6242     1.6473	H	1	noname	0.0538
31	H15    -0.7649    -1.6396    -0.0445	H	1	noname	0.0538
32	H16     0.0053     0.4266     6.3213	H	1	noname	0.0403
33	H17    -1.9565     1.6796     5.5379	H	1	noname	0.0238
34	H18    -2.0481    -0.0284     5.0454	H	1	noname	0.0238
35	H19    -1.5934     1.2170     3.8578	H	1	noname	0.0238
36	H20     0.0778     2.8148     5.7851	H	1	noname	0.0238
37	H21     0.8004     2.4041     4.2111	H	1	noname	0.0238
38	H22     1.6540     1.9908     5.7173	H	1	noname	0.0238
@<TRIPOS>BOND
1	1	9	1
2	1	13	1
3	2	13	2
4	3	4	1
5	3	5	1
6	3	10	1
7	3	11	1
8	4	6	1
9	4	7	1
10	4	17	1
11	5	6	1
12	5	8	1
13	5	18	1
14	6	19	1
15	6	20	1
16	7	9	1
17	7	21	1
18	7	22	1
19	8	9	1
20	8	12	2
21	9	23	1
22	10	24	1
23	10	28	1
24	10	29	1
25	11	25	1
26	11	26	1
27	11	27	1
28	12	30	1
29	12	31	1
30	13	14	1
31	14	15	1
32	14	16	1
33	14	32	1
34	15	33	1
35	15	34	1
36	15	35	1
37	16	36	1
38	16	37	1
39	16	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1