@<TRIPOS>MOLECULE
DB02126
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8293    -1.4152     0.0120	O.2	1	noname	-0.2599
2	C1    -0.5899    -1.2561     0.0465	C.2	1	noname	0.0830
3	O2     0.2258    -2.3276     0.1408	O.3	1	noname	-0.2192
4	C2    -0.0517     0.0241    -0.0123	C.2	1	noname	-0.0034
5	C3     1.3265     0.2010     0.0260	C.2	1	noname	-0.0029
6	C4    -0.8916     1.1274    -0.1095	C.2	1	noname	-0.0029
7	C5     1.8647     1.4812    -0.0328	C.2	1	noname	-0.0317
8	C6    -0.3533     2.4076    -0.1683	C.2	1	noname	-0.0317
9	C7     1.0248     2.5845    -0.1299	C.2	1	noname	-0.0192
10	C8     1.5515     3.8371    -0.1875	C.2	1	noname	-0.0054
11	C9     2.7075     4.1007     0.4150	C.2	1	noname	0.0588
12	C10     3.2341     5.3533     0.3575	C.2	1	noname	0.0912
13	O3     4.3206     5.6011     0.9238	O.2	1	noname	-0.2623
14	O4     2.5835     6.3290    -0.3112	O.3	1	noname	-0.2211
15	H1     0.3808    -2.5313     1.0661	H	1	noname	0.2216
16	H2     1.9851    -0.6641     0.1022	H	1	noname	0.0631
17	H3    -1.9723     0.9886    -0.1396	H	1	noname	0.0631
18	H4     2.9455     1.6200    -0.0027	H	1	noname	0.0629
19	H5    -1.0119     3.2727    -0.2445	H	1	noname	0.0629
20	H6     1.0415     4.6383    -0.7223	H	1	noname	0.0631
21	H7     3.2175     3.2995     0.9498	H	1	noname	0.0686
22	H8     2.1806     6.9333     0.3166	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	2
9	8	9	1
10	9	10	1
11	10	11	2
12	11	12	1
13	12	13	2
14	12	14	1
15	3	15	1
16	5	16	1
17	6	17	1
18	7	18	1
19	8	19	1
20	10	20	1
21	11	21	1
22	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1