@<TRIPOS>MOLECULE
DB07381
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4193    -0.0311     0.7023	O.2	1	noname	-0.2425
2	C1    -2.1799    -0.7817    -0.2681	C.2	1	noname	0.1538
3	O2    -3.1676    -1.1088    -1.1283	O.3	1	noname	-0.2084
4	C2    -0.8320    -1.3048    -0.4713	C.3	1	noname	0.1719
5	O3    -0.4468    -2.0725     0.6594	O.3	1	noname	-0.3749
6	C3     0.0997    -0.1943    -0.6460	C.2	1	noname	-0.0370
7	C4    -0.8110    -2.1893    -1.7195	C.3	1	noname	-0.0220
8	C5     0.7331     0.3619     0.4592	C.2	1	noname	-0.0455
9	C6     0.3533     0.3066    -1.9175	C.2	1	noname	-0.0455
10	C7     1.6201     1.4191     0.2929	C.2	1	noname	-0.0575
11	C8     1.2404     1.3638    -2.0839	C.2	1	noname	-0.0575
12	C9     1.8737     1.9200    -0.9786	C.2	1	noname	-0.0608
13	H1    -3.9492    -1.3676    -0.6346	H	1	noname	0.2214
14	H2    -0.5178    -3.0069     0.4511	H	1	noname	0.2120
15	H3    -0.8160    -3.2379    -1.4219	H	1	noname	0.0269
16	H4    -1.6909    -1.9801    -2.3279	H	1	noname	0.0269
17	H5     0.0888    -1.9801    -2.2980	H	1	noname	0.0269
18	H6     0.5342    -0.0309     1.4563	H	1	noname	0.0626
19	H7    -0.1434    -0.1296    -2.7842	H	1	noname	0.0626
20	H8     2.1168     1.8552     1.1596	H	1	noname	0.0622
21	H9     1.4393     1.7566    -3.0810	H	1	noname	0.0622
22	H10     2.5693     2.7490    -1.1090	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	4	7	1
7	6	8	2
8	6	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	11	12	1
13	3	13	1
14	5	14	1
15	7	15	1
16	7	16	1
17	7	17	1
18	8	18	1
19	9	19	1
20	10	20	1
21	11	21	1
22	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1