@<TRIPOS>MOLECULE
DB04303
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.6695     0.5170    -0.7755	O.2	1	noname	-0.2442
2	C1    -1.4280     0.4273    -0.8906	C.2	1	noname	0.1515
3	O2    -0.8539     0.5281    -2.1083	O.3	1	noname	-0.2098
4	C2    -0.5552     0.2023     0.3542	C.3	1	noname	0.1746
5	O3     0.1707    -1.0563     0.1720	O.3	1	noname	-0.3334
6	C3     0.3026     1.4814     0.5810	C.3	1	noname	0.1216
7	C4     1.4436    -1.2256     0.8580	C.3	1	noname	0.1843
8	O4     0.2363     1.8595     1.9481	O.3	1	noname	-0.3752
9	C5     1.7883     1.2803     0.1703	C.3	1	noname	0.1141
10	O5     1.2140    -1.3762     2.2512	O.3	1	noname	-0.3656
11	C6     2.4480    -0.0631     0.6210	C.3	1	noname	0.1332
12	C7    -1.1131     2.1258     2.3007	C.3	1	noname	0.0362
13	O6     1.9134     1.4204    -1.2372	O.3	1	noname	-0.3873
14	O7     3.2068     0.1548     1.8013	O.3	1	noname	-0.3849
15	H1    -0.6890    -0.3506    -2.4581	H	1	noname	0.2214
16	H2    -1.1022     0.0133     1.2779	H	1	noname	0.0743
17	H3    -0.1238     2.3178     0.0271	H	1	noname	0.0664
18	H4     1.8411    -2.1685     0.4826	H	1	noname	0.0949
19	H5     2.3586     2.0960     0.6148	H	1	noname	0.0658
20	H6     1.1779    -2.3101     2.4704	H	1	noname	0.2134
21	H7     3.1614    -0.3774    -0.1408	H	1	noname	0.0682
22	H8    -1.2081     2.1446     3.3864	H	1	noname	0.0529
23	H9    -1.4113     3.0918     1.8932	H	1	noname	0.0529
24	H10    -1.7560     1.3456     1.8932	H	1	noname	0.0529
25	H11     1.9496     0.5512    -1.6433	H	1	noname	0.2106
26	H12     3.4530    -0.6905     2.1841	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