@<TRIPOS>MOLECULE
DB03518
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.1577    -0.1285    -0.3674	O.2	1	noname	-0.2550
2	C1     2.1995    -0.7482     0.1429	C.2	1	noname	0.1362
3	O2     2.3178    -1.2732     1.3810	O.3	1	noname	-0.2182
4	C2     0.9524    -0.9043    -0.6001	C.3	1	noname	0.0621
5	C3    -0.1928    -0.2615     0.1849	C.3	1	noname	0.0735
6	O3     0.0777     1.1200     0.3708	O.3	1	noname	-0.3894
7	C4    -1.4997    -0.4251    -0.5937	C.3	1	noname	-0.0005
8	C5    -0.3226    -0.9437     1.5482	C.3	1	noname	-0.0355
9	C6    -1.3699     0.2571    -1.9570	C.3	1	noname	0.0459
10	O4    -2.5828     0.1053    -2.6796	O.3	1	noname	-0.3961
11	H1     2.3124    -2.2315     1.3242	H	1	noname	0.2213
12	H2     1.0794    -0.3363    -1.5216	H	1	noname	0.0402
13	H3     0.7611    -1.9766    -0.6428	H	1	noname	0.0402
14	H4     0.1159     1.3151     1.3100	H	1	noname	0.2108
15	H5    -1.6203    -1.4913    -0.7855	H	1	noname	0.0319
16	H6    -2.2654     0.1193    -0.0411	H	1	noname	0.0319
17	H7    -0.3100    -2.0256     1.4159	H	1	noname	0.0260
18	H8     0.5109    -0.6458     2.1844	H	1	noname	0.0260
19	H9    -1.2611    -0.6458     2.0157	H	1	noname	0.0260
20	H10    -1.2634     1.3289    -1.7895	H	1	noname	0.0564
21	H11    -0.6183    -0.2817    -2.5340	H	1	noname	0.0564
22	H12    -3.3132     0.0138    -2.0634	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	5	7	1
7	5	8	1
8	7	9	1
9	9	10	1
10	3	11	1
11	4	12	1
12	4	13	1
13	6	14	1
14	7	15	1
15	7	16	1
16	8	17	1
17	8	18	1
18	8	19	1
19	9	20	1
20	9	21	1
21	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1