@<TRIPOS>MOLECULE
71587084
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4158     0.3520     0.7521	O.3	1	noname	-0.3472
2	O2     1.8927     0.8378    -0.8980	O.3	1	noname	-0.3498
3	C1     1.0753    -0.1959    -0.3710	C.3	1	noname	0.1579
4	C2     1.9557    -1.3651     0.0748	C.3	1	noname	-0.0016
5	C3     0.1288     1.6510     0.2414	C.3	1	noname	0.0814
6	C4     0.9716     1.9003    -1.0071	C.3	1	noname	0.0759
7	C5     2.6698    -1.9585    -1.1413	C.3	1	noname	-0.0487
8	C6     3.5502    -3.1276    -0.6955	C.3	1	noname	-0.0560
9	C7    -1.3554     1.7409    -0.1189	C.3	1	noname	-0.0363
10	C8     4.2643    -3.7210    -1.9116	C.3	1	noname	-0.0654
11	H1     0.3288    -0.4670    -1.1176	H	1	noname	0.0921
12	H2     1.3349    -2.1304     0.5408	H	1	noname	0.0318
13	H3     2.6950    -1.0101     0.7928	H	1	noname	0.0318
14	H4     0.3587     2.3738     1.0242	H	1	noname	0.0625
15	H5     0.3561     1.7578    -1.8954	H	1	noname	0.0594
16	H6     1.4325     2.8873    -1.0436	H	1	noname	0.0594
17	H7     1.9305    -2.3134    -1.8593	H	1	noname	0.0268
18	H8     3.2906    -1.1932    -1.6073	H	1	noname	0.0268
19	H9     2.9294    -3.8929    -0.2296	H	1	noname	0.0264
20	H10     4.2895    -2.7726     0.0225	H	1	noname	0.0264
21	H11    -1.5749     2.7345    -0.5096	H	1	noname	0.0257
22	H12    -1.9571     1.5597     0.7717	H	1	noname	0.0257
23	H13    -1.5917     0.9927    -0.8755	H	1	noname	0.0257
24	H14     4.8915    -4.5539    -1.5940	H	1	noname	0.0230
25	H15     3.5250    -4.0760    -2.6296	H	1	noname	0.0230
26	H16     4.8851    -2.9557    -2.3776	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