@<TRIPOS>MOLECULE
91827107
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.5931    -0.1863    -0.5649	O.3	1	noname	-0.2525
2	O2     1.7342     0.7335     0.2364	O.3	1	noname	-0.2655
3	O3    -2.3608     4.2824    -1.0450	O.3	1	noname	-0.2789
4	O4    -3.2302     1.8382    -2.4026	O.2	1	noname	-0.2945
5	O5     6.0368     5.3331     1.4499	O.3	1	noname	-0.2855
6	C1    -0.4143     1.1774    -0.5443	C.2	1	noname	0.0701
7	C2    -1.4734     2.0274    -0.9359	C.2	1	noname	0.0364
8	C3     1.0549     3.1373    -0.1227	C.2	1	noname	0.0176
9	C4     0.8259     1.7083    -0.1238	C.2	1	noname	0.0290
10	C5    -1.3197     3.4222    -0.8245	C.2	1	noname	0.0311
11	C6    -0.0870     3.9511    -0.4155	C.2	1	noname	-0.0163
12	C7     2.3487     3.7214     0.1644	C.2	1	noname	-0.0502
13	C8    -1.4274    -0.5704     0.5398	C.3	1	noname	0.0748
14	C9    -2.8411    -0.2876     0.3829	C.2	1	noname	-0.0193
15	C10    -2.7085     1.4652    -1.3197	C.2	1	noname	0.0849
16	C11    -3.3986     0.6039    -0.4871	C.2	1	noname	0.0339
17	C12     2.5085     5.1256     0.3913	C.2	1	noname	-0.0306
18	C13     3.5427     2.9529     0.2170	C.2	1	noname	-0.0306
19	C14    -3.6464    -1.0890     1.2560	C.3	1	noname	-0.0412
20	C15     3.7382     5.6691     0.7907	C.2	1	noname	-0.0264
21	C16     4.6967     3.4363     0.8514	C.2	1	noname	-0.0264
22	C17     4.8339     4.8179     1.0620	C.2	1	noname	0.0058
23	C18     1.9432     0.5624     1.6413	C.3	1	noname	0.0424
24	H1    -0.0842     4.9520    -0.3079	H	1	noname	0.0657
25	H2    -1.0617    -0.0994     1.4522	H	1	noname	0.0620
26	H3    -1.3562    -1.6440     0.7141	H	1	noname	0.0620
27	H4    -4.3871     0.6844    -0.5623	H	1	noname	0.0664
28	H5     1.7365     5.7938     0.2686	H	1	noname	0.0630
29	H6     3.6070     2.0115    -0.1600	H	1	noname	0.0630
30	H7    -4.2185    -0.4407     1.9198	H	1	noname	0.0277
31	H8    -4.3303    -1.6969     0.6637	H	1	noname	0.0277
32	H9    -3.0031    -1.7391     1.8489	H	1	noname	0.0277
33	H10     3.8352     6.6889     0.8659	H	1	noname	0.0650
34	H11     5.4680     2.8032     1.0891	H	1	noname	0.0650
35	H12    -2.0546     5.2048    -0.9192	H	1	noname	0.2182
36	H13     2.6752    -0.2282     1.8061	H	1	noname	0.0535
37	H14     1.0014     0.2909     2.1183	H	1	noname	0.0535
38	H15     2.3121     1.4943     2.0699	H	1	noname	0.0535
39	H16     5.9751     6.3103     1.4924	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	6	1
2	1	13	1
3	2	9	1
4	2	23	1
5	3	10	1
6	3	35	1
7	4	15	2
8	5	22	1
9	5	39	1
10	6	7	1
11	6	9	2
12	7	10	2
13	7	15	1
14	8	9	1
15	8	11	2
16	8	12	1
17	10	11	1
18	11	24	1
19	12	17	2
20	12	18	1
21	13	14	1
22	13	25	1
23	13	26	1
24	14	16	2
25	14	19	1
26	15	16	1
27	16	27	1
28	17	20	1
29	17	28	1
30	18	21	2
31	18	29	1
32	19	30	1
33	19	31	1
34	19	32	1
35	20	22	2
36	20	33	1
37	21	22	1
38	21	34	1
39	23	36	1
40	23	37	1
41	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1