@<TRIPOS>MOLECULE
DB04515
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3594     0.4727     0.2097	O.3	1	noname	-0.3442
2	C1     1.7612     0.0623     0.1097	C.3	1	noname	0.1839
3	C2    -0.5716     0.2213    -0.8922	C.3	1	noname	0.0866
4	O2     1.9570    -1.1366     0.8450	O.3	1	noname	-0.3656
5	C3     2.3258    -0.1139    -1.3302	C.3	1	noname	0.1362
6	C4    -0.1798    -0.9173    -1.8795	C.3	1	noname	0.1087
7	C5    -0.7996     1.5172    -1.6729	C.3	1	noname	-0.0359
8	O3     3.5524    -0.8271    -1.2737	O.3	1	noname	-0.3732
9	C6     1.3304    -0.8644    -2.2692	C.3	1	noname	0.1136
10	O4    -0.9749    -0.8214    -3.0521	O.3	1	noname	-0.3875
11	C7     4.4851    -0.1030    -0.4849	C.3	1	noname	0.0363
12	O5     1.4606    -0.3658    -3.5924	O.3	1	noname	-0.3873
13	H1     2.2962     0.8670     0.6141	H	1	noname	0.0949
14	H2    -1.4587    -0.1100    -0.3524	H	1	noname	0.0629
15	H3     1.9256    -0.9443     1.7850	H	1	noname	0.2134
16	H4     2.5778     0.8592    -1.7516	H	1	noname	0.0685
17	H5    -0.4236    -1.8873    -1.4461	H	1	noname	0.0656
18	H6    -0.9447     2.3414    -0.9745	H	1	noname	0.0258
19	H7     0.0682     1.7210    -2.3002	H	1	noname	0.0258
20	H8    -1.6849     1.4125    -2.3002	H	1	noname	0.0258
21	H9     1.6642    -1.9020    -2.2741	H	1	noname	0.0658
22	H10    -1.1884    -1.7028    -3.3669	H	1	noname	0.2106
23	H11     4.2728    -0.2678     0.5714	H	1	noname	0.0529
24	H12     5.4950    -0.4457    -0.7104	H	1	noname	0.0529
25	H13     4.4034     0.9603    -0.7104	H	1	noname	0.0529
26	H14     1.5211    -1.1008    -4.2069	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	5	8	1
8	5	9	1
9	6	10	1
10	6	9	1
11	8	11	1
12	9	12	1
13	2	13	1
14	3	14	1
15	4	15	1
16	5	16	1
17	6	17	1
18	7	18	1
19	7	19	1
20	7	20	1
21	9	21	1
22	10	22	1
23	11	23	1
24	11	24	1
25	11	25	1
26	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1