@<TRIPOS>MOLECULE
DB06952
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.4232     4.1571    -1.3103	O.2	1	noname	-0.2318
2	C1     1.4828     3.6380    -0.6711	C.2	1	noname	0.1687
3	O2     0.8491     4.3437     0.2897	O.3	1	noname	-0.2001
4	C2     1.0696     2.2685    -0.9634	C.3	1	noname	0.2797
5	O3     2.1946     1.3607    -0.7367	O.3	1	noname	-0.2411
6	O4     0.6120     2.1900    -2.3054	O.3	1	noname	-0.3541
7	C3    -0.0540     1.8972    -0.0874	C.2	1	noname	-0.0236
8	C4     1.9250    -0.0093    -0.5819	C.2	1	noname	0.0093
9	C5    -0.1458     0.6341     0.3983	C.2	1	noname	-0.0219
10	C6     0.7596    -0.3965     0.1194	C.2	1	noname	-0.0115
11	C7     2.8734    -0.9626    -0.9338	C.2	1	noname	-0.0246
12	C8     0.3995    -1.7375     0.1820	C.2	1	noname	-0.0428
13	C9     2.6763    -2.2965    -0.5963	C.2	1	noname	-0.0537
14	C10     1.3888    -2.7041    -0.1318	C.2	1	noname	-0.0675
15	H1     0.4384     3.7393     0.9123	H	1	noname	0.2215
16	H2     0.5250     1.2686    -2.5604	H	1	noname	0.2145
17	H3    -0.8468     2.5826     0.2124	H	1	noname	0.0638
18	H4    -0.9964     0.4357     1.0505	H	1	noname	0.0628
19	H5     3.7716    -0.6641    -1.4743	H	1	noname	0.0650
20	H6    -0.6148    -2.0191     0.4649	H	1	noname	0.0629
21	H7     3.5037    -2.9995    -0.6927	H	1	noname	0.0623
22	H8     1.1590    -3.7632    -0.0156	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	5	8	1
8	7	9	2
9	8	10	2
10	8	11	1
11	9	10	1
12	10	12	1
13	11	13	2
14	12	14	2
15	13	14	1
16	3	15	1
17	6	16	1
18	7	17	1
19	9	18	1
20	11	19	1
21	12	20	1
22	13	21	1
23	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1