@<TRIPOS>MOLECULE
DB06756
19 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0965    -0.8848     0.2304	O.2	1	noname	-0.4610
2	C1     1.2816     0.0374     0.0117	C.2	1	noname	-0.0451
3	O2     1.6478     1.3221     0.2066	O.3	1	noname	-0.4610
4	C2    -0.0664    -0.2747    -0.4544	C.3	1	noname	0.0305
5	N1    -0.8192     0.9656    -0.6344	N.4	1	noname	0.0059
6	C3    -2.1689     0.6531    -1.1012	C.3	1	noname	-0.0218
7	C4    -0.8970     1.6777     0.6401	C.3	1	noname	-0.0218
8	C5    -0.1444     1.8063    -1.6220	C.3	1	noname	-0.0218
9	H1     0.0390    -0.7254    -1.4413	H	1	noname	0.0921
10	H2    -0.5561    -0.8270     0.3475	H	1	noname	0.0921
11	H3    -2.8240     0.5014    -0.2433	H	1	noname	0.0902
12	H4    -2.5453     1.4794    -1.7041	H	1	noname	0.0902
13	H5    -2.1438    -0.2547    -1.7041	H	1	noname	0.0902
14	H6    -0.9468     0.9572     1.4565	H	1	noname	0.0902
15	H7    -0.0127     2.3035     0.7612	H	1	noname	0.0902
16	H8    -1.7894     2.3035     0.6528	H	1	noname	0.0902
17	H9     0.4578     2.5567    -1.1097	H	1	noname	0.0902
18	H10     0.5001     1.1875    -2.2463	H	1	noname	0.0902
19	H11    -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	4	9	1
9	4	10	1
10	6	11	1
11	6	12	1
12	6	13	1
13	7	14	1
14	7	15	1
15	7	16	1
16	8	17	1
17	8	18	1
18	8	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1