@<TRIPOS>MOLECULE
DB04455
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0965    -0.8848     0.2304	O.2	1	noname	-0.2343
2	C1     1.2816     0.0374     0.0117	C.2	1	noname	0.1642
3	O2     1.6478     1.3221     0.2066	O.3	1	noname	-0.2021
4	C2    -0.0664    -0.2747    -0.4544	C.3	1	noname	0.0780
5	N1    -0.8192     0.9656    -0.6344	N.4	1	noname	0.0133
6	C3    -2.1689     0.6531    -1.1012	C.3	1	noname	-0.0211
7	C4    -0.8970     1.6777     0.6401	C.3	1	noname	-0.0211
8	C5    -0.1444     1.8063    -1.6220	C.3	1	noname	-0.0211
9	H1     1.6988     1.5010     1.1484	H	1	noname	0.2215
10	H2     0.0390    -0.7254    -1.4413	H	1	noname	0.1053
11	H3    -0.5561    -0.8270     0.3475	H	1	noname	0.1053
12	H4    -2.8240     0.5014    -0.2433	H	1	noname	0.0902
13	H5    -2.5453     1.4794    -1.7041	H	1	noname	0.0902
14	H6    -2.1438    -0.2547    -1.7041	H	1	noname	0.0902
15	H7    -0.9468     0.9572     1.4565	H	1	noname	0.0902
16	H8    -0.0127     2.3035     0.7612	H	1	noname	0.0902
17	H9    -1.7894     2.3035     0.6528	H	1	noname	0.0902
18	H10     0.4578     2.5567    -1.1097	H	1	noname	0.0902
19	H11     0.5001     1.1875    -2.2463	H	1	noname	0.0902
20	H12    -0.8881     2.3016    -2.2463	H	1	noname	0.0902
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	5	7	1
7	5	8	1
8	3	9	1
9	4	10	1
10	4	11	1
11	6	12	1
12	6	13	1
13	6	14	1
14	7	15	1
15	7	16	1
16	7	17	1
17	8	18	1
18	8	19	1
19	8	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1