@<TRIPOS>MOLECULE
DB03514
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.0127    -0.6457     0.4288	O.3	1	noname	-0.2672
2	C1    -0.0777     0.3176     0.2858	C.2	1	noname	0.0256
3	C2    -1.6282    -0.8978    -0.8257	C.3	1	noname	0.0424
4	C3     1.2325    -0.0263    -0.0257	C.2	1	noname	0.0211
5	C4    -0.4253     1.6534     0.4501	C.2	1	noname	-0.0146
6	O2     1.5701    -1.3237    -0.1853	O.3	1	noname	-0.2765
7	C5     2.1952     0.9655    -0.1730	C.2	1	noname	-0.0217
8	C6     0.5374     2.6452     0.3028	C.2	1	noname	-0.0486
9	C7     1.8476     2.3012    -0.0087	C.2	1	noname	-0.0554
10	C8     0.1973     3.9522     0.4636	C.2	1	noname	-0.0637
11	C9    -1.0345     4.3596     0.1710	C.2	1	noname	-0.0835
12	H1    -1.7054    -1.9737    -0.9829	H	1	noname	0.0535
13	H2    -2.6249    -0.4567    -0.8366	H	1	noname	0.0535
14	H3    -1.0270    -0.4567    -1.6207	H	1	noname	0.0535
15	H4    -1.4528     1.9231     0.6944	H	1	noname	0.0657
16	H5     1.6771    -1.7347     0.6757	H	1	noname	0.2183
17	H6     3.2226     0.6958    -0.4173	H	1	noname	0.0651
18	H7     2.6025     3.0790    -0.1242	H	1	noname	0.0629
19	H8     0.9198     4.6810     0.8309	H	1	noname	0.0622
20	H9    -1.2428     5.4228     0.0511	H	1	noname	0.0538
21	H10    -1.8357     3.6304     0.0511	H	1	noname	0.0538
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	4	6	1
6	4	7	1
7	5	8	2
8	7	9	2
9	8	10	1
10	8	9	1
11	10	11	2
12	3	12	1
13	3	13	1
14	3	14	1
15	5	15	1
16	6	16	1
17	7	17	1
18	9	18	1
19	10	19	1
20	11	20	1
21	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1