@<TRIPOS>MOLECULE
DB02210
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.0433    -2.7813     0.0000	O.3	1	noname	-0.3962
2	C1     3.5700    -1.4425     0.0000	C.3	1	noname	0.0432
3	C2     2.0400    -1.4425     0.0000	C.3	1	noname	-0.0299
4	C3     1.5300     0.0000     0.0000	C.3	1	noname	-0.0510
5	C4     0.0000     0.0000     0.0000	C.3	1	noname	-0.0510
6	C5    -0.5100     1.4425     0.0000	C.3	1	noname	-0.0299
7	C6    -2.0400     1.4425     0.0000	C.3	1	noname	0.0432
8	O2    -2.5133     2.7813     0.0000	O.3	1	noname	-0.3962
9	H1     4.1500    -3.0830     0.9051	H	1	noname	0.2100
10	H2     3.9077    -1.0147     0.9440	H	1	noname	0.0563
11	H3     3.9077    -1.0147    -0.9440	H	1	noname	0.0563
12	H4     1.7253    -1.8875    -0.9440	H	1	noname	0.0290
13	H5     1.7253    -1.8875     0.9440	H	1	noname	0.0290
14	H6     1.8447     0.4450     0.9440	H	1	noname	0.0267
15	H7     1.8447     0.4450    -0.9440	H	1	noname	0.0267
16	H8    -0.3147    -0.4450    -0.9440	H	1	noname	0.0267
17	H9    -0.3147    -0.4450     0.9440	H	1	noname	0.0267
18	H10    -0.1953     1.8875     0.9440	H	1	noname	0.0290
19	H11    -0.1953     1.8875    -0.9440	H	1	noname	0.0290
20	H12    -2.3777     1.0147    -0.9440	H	1	noname	0.0563
21	H13    -2.3777     1.0147     0.9440	H	1	noname	0.0563
22	H14    -2.6200     3.0830     0.9051	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	1	9	1
9	2	10	1
10	2	11	1
11	3	12	1
12	3	13	1
13	4	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	7	20	1
20	7	21	1
21	8	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1