@<TRIPOS>MOLECULE
DB04279
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1637    -3.0888    -1.1066	O.2	1	noname	-0.2449
2	C1    -0.5130    -2.0397    -1.0439	C.2	1	noname	0.1503
3	O2    -1.8588    -2.1084    -0.9620	O.3	1	noname	-0.2104
4	C2     0.1520    -0.7400    -1.0591	C.3	1	noname	0.1516
5	O3    -0.2984     0.0091    -2.1781	O.3	1	noname	-0.3817
6	C3    -0.1792     0.0174     0.2284	C.3	1	noname	0.0827
7	C4     0.4858     1.3171     0.2132	C.2	1	noname	0.1381
8	C5     0.3061    -0.7897     1.4342	C.3	1	noname	-0.0318
9	O4    -0.1909     2.3662     0.2759	O.2	1	noname	-0.2537
10	O5     1.8316     1.3858     0.1314	O.3	1	noname	-0.2171
11	C6    -0.0251    -0.0323     2.7216	C.3	1	noname	-0.0619
12	C7     1.8195    -0.9923     1.3366	C.3	1	noname	-0.0619
13	H1    -2.1230    -2.1219    -0.0392	H	1	noname	0.2214
14	H2     1.2226    -0.8931    -1.1949	H	1	noname	0.0719
15	H3    -0.5782    -0.5910    -2.8733	H	1	noname	0.2112
16	H4    -1.2500     0.2089     0.2984	H	1	noname	0.0444
17	H5    -0.1904    -1.7600     1.4455	H	1	noname	0.0306
18	H6     2.2054     1.4049     1.0154	H	1	noname	0.2213
19	H7    -0.2305    -0.7453     3.5201	H	1	noname	0.0233
20	H8     0.8215     0.5940     3.0027	H	1	noname	0.0233
21	H9    -0.9023     0.5940     2.5593	H	1	noname	0.0233
22	H10     2.2438    -1.0491     2.3390	H	1	noname	0.0233
23	H11     2.0283    -1.9182     0.8006	H	1	noname	0.0233
24	H12     2.2645    -0.1540     0.8006	H	1	noname	0.0233
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	1
11	8	12	1
12	3	13	1
13	4	14	1
14	5	15	1
15	6	16	1
16	8	17	1
17	10	18	1
18	11	19	1
19	11	20	1
20	11	21	1
21	12	22	1
22	12	23	1
23	12	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1