@<TRIPOS>MOLECULE
71356362
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0497     0.0309     0.2577	O.3	1	noname	-0.3472
2	O2     1.8987     1.0045    -0.6218	O.3	1	noname	-0.3498
3	C1     1.2464    -0.2431    -0.4419	C.3	1	noname	0.1579
4	C2     2.1306    -1.1641     0.4012	C.3	1	noname	-0.0016
5	C3    -0.3295     1.2388    -0.3961	C.3	1	noname	0.0814
6	C4     0.8642     1.7888    -1.1731	C.3	1	noname	0.0759
7	C5     3.4264    -1.4608    -0.3564	C.3	1	noname	-0.0487
8	C6     4.3106    -2.3817     0.4868	C.3	1	noname	-0.0560
9	C7    -0.7756     2.2652     0.6473	C.3	1	noname	-0.0363
10	C8     5.6064    -2.6784    -0.2708	C.3	1	noname	-0.0654
11	H1     0.9941    -0.6507    -1.4209	H	1	noname	0.0921
12	H2     1.6018    -2.0971     0.5959	H	1	noname	0.0318
13	H3     2.3662    -0.6758     1.3468	H	1	noname	0.0318
14	H4    -1.1376     1.0666    -1.1071	H	1	noname	0.0625
15	H5     0.7509     1.5495    -2.2305	H	1	noname	0.0594
16	H6     1.0118     2.8630    -1.0613	H	1	noname	0.0594
17	H7     3.1907    -1.9491    -1.3020	H	1	noname	0.0268
18	H8     3.9551    -0.5277    -0.5511	H	1	noname	0.0268
19	H9     3.7818    -3.3148     0.6815	H	1	noname	0.0264
20	H10     4.5462    -1.8934     1.4323	H	1	noname	0.0264
21	H11    -1.0656     3.1892     0.1471	H	1	noname	0.0257
22	H12    -1.6257     1.8712     1.2042	H	1	noname	0.0257
23	H13     0.0468     2.4663     1.3338	H	1	noname	0.0257
24	H14     6.2363    -3.3345     0.3298	H	1	noname	0.0230
25	H15     5.3707    -3.1667    -1.2164	H	1	noname	0.0230
26	H16     6.1352    -1.7454    -0.4656	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	3	1
2	1	5	1
3	2	3	1
4	2	6	1
5	3	4	1
6	3	11	1
7	4	7	1
8	4	12	1
9	4	13	1
10	5	6	1
11	5	9	1
12	5	14	1
13	6	15	1
14	6	16	1
15	7	8	1
16	7	17	1
17	7	18	1
18	8	10	1
19	8	19	1
20	8	20	1
21	9	21	1
22	9	22	1
23	9	23	1
24	10	24	1
25	10	25	1
26	10	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1