@<TRIPOS>MOLECULE
DB04296
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1727    -2.0855     0.9385	O.2	1	noname	-0.2496
2	C1     1.6541    -1.4985    -0.0356	C.2	1	noname	0.1437
3	O2     1.3259    -2.1932    -1.1457	O.3	1	noname	-0.2140
4	C2     1.4032    -0.0616     0.0271	C.3	1	noname	0.0917
5	N1     2.1427     0.6093    -1.0409	N.3	1	noname	-0.3194
6	C3    -0.0939     0.2028    -0.1453	C.3	1	noname	-0.0215
7	C4    -0.3568     1.7086    -0.0796	C.3	1	noname	0.0077
8	C5    -1.7854     1.9608    -0.2441	C.2	1	noname	0.1305
9	O3    -2.2197     3.1327    -0.2221	O.2	1	noname	-0.3008
10	C6    -2.7067     0.8443    -0.4344	C.3	1	noname	-0.0057
11	H1     1.3802    -3.1339    -0.9622	H	1	noname	0.2213
12	H2     1.7750     0.3066     0.9833	H	1	noname	0.0571
13	H3     1.6790     0.8410    -1.9077	H	1	noname	0.1191
14	H4     3.1172     0.8410    -0.9118	H	1	noname	0.1191
15	H5    -0.3562    -0.1187    -1.1533	H	1	noname	0.0292
16	H6    -0.5931    -0.2417     0.7157	H	1	noname	0.0292
17	H7    -0.1075     2.0427     0.9275	H	1	noname	0.0347
18	H8     0.1295     2.1656    -0.9414	H	1	noname	0.0347
19	H9    -3.0212     0.4632     0.5372	H	1	noname	0.0310
20	H10    -3.5798     1.1845    -0.9912	H	1	noname	0.0310
21	H11    -2.2069     0.0517    -0.9912	H	1	noname	0.0310
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	8	9	2
9	8	10	1
10	3	11	1
11	4	12	1
12	5	13	1
13	5	14	1
14	6	15	1
15	6	16	1
16	7	17	1
17	7	18	1
18	10	19	1
19	10	20	1
20	10	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1