@<TRIPOS>MOLECULE
DB02251
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0434    -2.4624    -1.1454	O.2	1	noname	-0.2584
2	C1    -0.8885    -2.1878    -0.7291	C.2	1	noname	0.0922
3	O2    -0.2898    -3.3400    -0.3713	O.3	1	noname	-0.2183
4	C2    -0.3351    -0.8543    -0.6616	C.2	1	noname	0.0327
5	C3     0.9895    -0.4320    -0.1959	C.2	1	noname	0.0309
6	C4    -1.2525     0.1594    -1.1274	C.2	1	noname	0.0041
7	C5     2.1070    -1.2302     0.3236	C.2	1	noname	0.1072
8	C6     1.3025     0.9835    -0.2303	C.2	1	noname	-0.0044
9	C7    -0.9096     1.5410    -1.1464	C.2	1	noname	-0.0262
10	O3     3.2031    -0.7413     0.6937	O.2	1	noname	-0.2955
11	C8     2.2292    -2.6782     0.5297	C.3	1	noname	0.0201
12	C9     0.3697     1.9533    -0.6972	C.2	1	noname	-0.0253
13	C10     2.7890    -3.3282    -0.7371	C.3	1	noname	0.0407
14	C11     2.9105    -4.7687    -0.5321	C.2	1	noname	0.1350
15	O4     2.2850    -5.5600    -1.2704	O.2	1	noname	-0.2558
16	O5     3.6984    -5.2459     0.4548	O.3	1	noname	-0.2188
17	H1    -0.2585    -3.4004     0.5863	H	1	noname	0.2216
18	H2    -2.2430    -0.1298    -1.4785	H	1	noname	0.0631
19	H3     2.2780     1.3325     0.1085	H	1	noname	0.0630
20	H4    -1.6249     2.2815    -1.5042	H	1	noname	0.0622
21	H5     2.9691    -2.8089     1.3194	H	1	noname	0.0355
22	H6     1.2137    -3.0498     0.6674	H	1	noname	0.0355
23	H7     0.6346     3.0105    -0.7108	H	1	noname	0.0622
24	H8     2.0496    -3.1993    -1.5276	H	1	noname	0.0377
25	H9     3.8049    -2.9584    -0.8756	H	1	noname	0.0377
26	H10     3.6855    -6.2057     0.4387	H	1	noname	0.2213
@<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	5	8	1
8	6	9	2
9	7	10	2
10	7	11	1
11	8	12	2
12	9	12	1
13	11	13	1
14	13	14	1
15	14	15	2
16	14	16	1
17	3	17	1
18	6	18	1
19	8	19	1
20	9	20	1
21	11	21	1
22	11	22	1
23	12	23	1
24	13	24	1
25	13	25	1
26	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1