@<TRIPOS>MOLECULE
DB04500
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6250    -2.4204     1.4614	O.2	1	noname	-0.2600
2	C1     1.1405    -1.8297     0.4879	C.2	1	noname	0.0824
3	O2     1.5602    -2.5346    -0.5843	O.3	1	noname	-0.2192
4	C2     1.2818    -0.4471     0.5092	C.2	1	noname	-0.0048
5	C3     1.8550     0.2098    -0.5733	C.2	1	noname	0.0018
6	C4     0.8497     0.2787     1.6132	C.2	1	noname	0.0018
7	C5     1.9963     1.5924    -0.5520	C.2	1	noname	-0.0184
8	C6     0.9909     1.6613     1.6345	C.2	1	noname	-0.0184
9	C7     1.5642     2.3182     0.5520	C.2	1	noname	0.0022
10	N1     1.7004     3.6511     0.5726	N.3	1	noname	-0.1372
11	C8     1.6642     4.3461    -0.5726	C.2	1	noname	0.1272
12	O3     1.7912     5.5895    -0.5534	O.2	1	noname	-0.2773
13	C9     1.4764     3.6510    -1.8427	C.3	1	noname	0.0098
14	H1     1.4874    -3.4736    -0.3984	H	1	noname	0.2216
15	H2     2.1938    -0.3593    -1.4390	H	1	noname	0.0631
16	H3     0.4002    -0.2364     2.4621	H	1	noname	0.0631
17	H4     2.4458     2.1075    -1.4009	H	1	noname	0.0639
18	H5     0.6521     2.2305     2.5002	H	1	noname	0.0639
19	H6     1.8302     4.1320     1.4512	H	1	noname	0.1370
20	H7     1.5012     2.5743    -1.6748	H	1	noname	0.0324
21	H8     0.5135     3.9299    -2.2706	H	1	noname	0.0324
22	H9     2.2743     3.9299    -2.5309	H	1	noname	0.0324
@<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	6	8	2
8	7	9	2
9	8	9	1
10	9	10	1
11	10	11	1
12	11	12	2
13	11	13	1
14	3	14	1
15	5	15	1
16	6	16	1
17	7	17	1
18	8	18	1
19	10	19	1
20	13	20	1
21	13	21	1
22	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1