@<TRIPOS>MOLECULE
DB02722
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4022     0.7800    -1.3544	O.2	1	noname	-0.2442
2	C1    -1.1904     0.5434    -1.1592	C.2	1	noname	0.1515
3	O2    -0.3305     0.5227    -2.1998	O.3	1	noname	-0.2098
4	C2    -0.6794     0.2762     0.2653	C.3	1	noname	0.1746
5	O3    -0.0904    -1.0643     0.2869	O.3	1	noname	-0.3334
6	C3     0.2476     1.4574     0.6760	C.3	1	noname	0.1216
7	C4     0.9478    -1.3473     1.2674	C.3	1	noname	0.1843
8	O4    -0.1011     1.9019     1.9788	O.3	1	noname	-0.3752
9	C5     1.7525     1.0689     0.6466	C.3	1	noname	0.1141
10	O5     1.4655    -2.6509     1.0458	O.3	1	noname	-0.3656
11	C6     2.1141    -0.3196     1.2666	C.3	1	noname	0.1332
12	C7    -1.4528     2.3369     1.9845	C.3	1	noname	0.0362
13	O6     2.2311     1.1300    -0.6890	O.3	1	noname	-0.3873
14	O7     2.5852    -0.1372     2.5937	O.3	1	noname	-0.3849
15	H1    -0.1356    -0.3872    -2.4357	H	1	noname	0.2214
16	H2    -1.4527     0.1930     1.0290	H	1	noname	0.0743
17	H3     0.0737     2.3113     0.0213	H	1	noname	0.0664
18	H4     0.4323    -1.3531     2.2278	H	1	noname	0.0949
19	H5     2.2934     1.8330     1.2048	H	1	noname	0.0658
20	H6     1.6343    -3.0759     1.8898	H	1	noname	0.2134
21	H7     2.9469    -0.7477     0.7087	H	1	noname	0.0682
22	H8    -1.7947     2.4469     3.0137	H	1	noname	0.0529
23	H9    -1.5280     3.2960     1.4722	H	1	noname	0.0529
24	H10    -2.0732     1.6016     1.4722	H	1	noname	0.0529
25	H11     2.3520     0.2395    -1.0266	H	1	noname	0.2106
26	H12     2.7302    -0.9936     3.0023	H	1	noname	0.2108
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	4	2	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	7	11	1
11	8	12	1
12	9	13	1
13	9	11	1
14	11	14	1
15	3	15	1
16	4	16	1
17	6	17	1
18	7	18	1
19	9	19	1
20	10	20	1
21	11	21	1
22	12	22	1
23	12	23	1
24	12	24	1
25	13	25	1
26	14	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1