@<TRIPOS>MOLECULE
57524245
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.8719     2.4799    -0.2190	O.3	1	noname	-0.2189
2	O2    -2.0448     3.7553     0.1086	O.2	1	noname	-0.2559
3	C1     2.1272     1.0652     0.4093	C.3	1	noname	-0.0533
4	C2     0.6748     0.6342     0.1954	C.3	1	noname	-0.0528
5	C3     3.0293    -0.1705     0.4220	C.3	1	noname	-0.0535
6	C4    -0.2273     1.8698     0.1826	C.3	1	noname	-0.0439
7	C5     4.4817     0.2606     0.6359	C.3	1	noname	-0.0561
8	C6    -1.6797     1.4388    -0.0313	C.3	1	noname	0.0335
9	C7     5.3838    -0.9751     0.6487	C.3	1	noname	-0.0654
10	C8    -2.5405     2.6180    -0.0435	C.2	1	noname	0.1348
11	H1     2.2144     1.5886     1.3614	H	1	noname	0.0266
12	H2     2.4320     1.7292    -0.3996	H	1	noname	0.0266
13	H3     0.3700    -0.0299     1.0042	H	1	noname	0.0267
14	H4     0.5876     0.1108    -0.7568	H	1	noname	0.0267
15	H5     2.7245    -0.8345     1.2309	H	1	noname	0.0266
16	H6     2.9421    -0.6938    -0.5301	H	1	noname	0.0266
17	H7    -0.1401     2.3932     1.1347	H	1	noname	0.0272
18	H8     0.0775     2.5339    -0.6263	H	1	noname	0.0272
19	H9     4.5689     0.7839     1.5881	H	1	noname	0.0264
20	H10     4.7865     0.9246    -0.1729	H	1	noname	0.0264
21	H11    -1.9845     0.7748     0.7776	H	1	noname	0.0372
22	H12    -1.7669     0.9154    -0.9834	H	1	noname	0.0372
23	H13     6.4185    -0.6680     0.8011	H	1	noname	0.0230
24	H14     5.0790    -1.6392     1.4576	H	1	noname	0.0230
25	H15     5.2966    -1.4985    -0.3034	H	1	noname	0.0230
26	H16    -4.4889     3.1251     0.1852	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	10	1
2	1	26	1
3	2	10	2
4	3	4	1
5	3	5	1
6	3	11	1
7	3	12	1
8	4	6	1
9	4	13	1
10	4	14	1
11	5	7	1
12	5	15	1
13	5	16	1
14	6	8	1
15	6	17	1
16	6	18	1
17	7	9	1
18	7	19	1
19	7	20	1
20	8	10	1
21	8	21	1
22	8	22	1
23	9	23	1
24	9	24	1
25	9	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1