@<TRIPOS>MOLECULE
71587453
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8987     1.0045    -0.6218	O.3	1	noname	-0.3472
2	O2     0.0497     0.0309     0.2577	O.3	1	noname	-0.3498
3	C1     1.2464    -0.2431    -0.4419	C.3	1	noname	0.1581
4	C2     2.1306    -1.1641     0.4012	C.3	1	noname	0.0007
5	C3     1.4274    -2.5090     0.5951	C.3	1	noname	-0.0423
6	C4     0.8642     1.7888    -1.1731	C.3	1	noname	0.0814
7	C5    -0.3295     1.2388    -0.3961	C.3	1	noname	0.0759
8	C6     2.3117    -3.4300     1.4382	C.3	1	noname	-0.0626
9	C7     1.1745    -3.1536    -0.7692	C.3	1	noname	-0.0626
10	C8     1.0829     3.2565    -0.8004	C.3	1	noname	-0.0363
11	H1     0.9941    -0.6507    -1.4209	H	1	noname	0.0922
12	H2     2.3108    -0.7049     1.3732	H	1	noname	0.0321
13	H3     3.0813    -1.3213    -0.1083	H	1	noname	0.0321
14	H4     0.4767    -2.3518     1.1045	H	1	noname	0.0299
15	H5     0.7546     1.5831    -2.2379	H	1	noname	0.0625
16	H6    -1.1497     1.0371    -1.0851	H	1	noname	0.0594
17	H7    -0.6603     1.9409     0.3693	H	1	noname	0.0594
18	H8     0.6735    -4.1118    -0.6311	H	1	noname	0.0233
19	H9     0.5445    -2.4975    -1.3699	H	1	noname	0.0233
20	H10     2.1252    -3.3108    -1.2787	H	1	noname	0.0233
21	H11     1.8107    -4.3881     1.5763	H	1	noname	0.0233
22	H12     2.4919    -2.9707     2.4102	H	1	noname	0.0233
23	H13     3.2624    -3.5872     0.9287	H	1	noname	0.0233
24	H14     0.2834     3.8626    -1.2264	H	1	noname	0.0257
25	H15     1.0787     3.3603     0.2847	H	1	noname	0.0257
26	H16     2.0424     3.5922    -1.1938	H	1	noname	0.0257
@<TRIPOS>BOND
1	1	3	1
2	1	6	1
3	2	3	1
4	2	7	1
5	3	4	1
6	3	11	1
7	4	5	1
8	4	12	1
9	4	13	1
10	5	8	1
11	5	9	1
12	5	14	1
13	6	7	1
14	6	10	1
15	6	15	1
16	7	16	1
17	7	17	1
18	8	21	1
19	8	22	1
20	8	23	1
21	9	18	1
22	9	19	1
23	9	20	1
24	10	24	1
25	10	25	1
26	10	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1