@<TRIPOS>MOLECULE
DB01881
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1278    -0.9266     0.0270	O.3	1	noname	-0.3876
2	C1     1.1661    -0.1618    -0.6849	C.3	1	noname	0.0875
3	C2     1.8069     1.1406    -1.1686	C.3	1	noname	0.0718
4	C3    -0.0122     0.1609     0.2362	C.3	1	noname	0.0038
5	C4     0.6675    -0.9629    -1.8892	C.3	1	noname	-0.0337
6	O2     2.9005     0.8411    -2.0234	O.3	1	noname	-0.3933
7	C5    -1.0483     0.9849    -0.5308	C.3	1	noname	0.0541
8	O3    -2.1419     1.2844     0.3240	O.3	1	noname	-0.3932
9	C6    -0.4075     2.2873    -1.0146	C.3	1	noname	-0.0388
10	H1     1.9893    -0.8165     0.9706	H	1	noname	0.2109
11	H2     1.0824     1.6611    -1.7948	H	1	noname	0.0593
12	H3     2.2421     1.6438    -0.3052	H	1	noname	0.0593
13	H4    -0.4865    -0.7885     0.4847	H	1	noname	0.0323
14	H5     0.3744     0.8010     1.0292	H	1	noname	0.0323
15	H6     0.7549    -2.0287    -1.6781	H	1	noname	0.0260
16	H7    -0.3761    -0.7154    -2.0834	H	1	noname	0.0260
17	H8     1.2685    -0.7154    -2.7643	H	1	noname	0.0260
18	H9     3.6725     0.6297    -1.4934	H	1	noname	0.2101
19	H10    -1.4731     0.4184    -1.3596	H	1	noname	0.0598
20	H11    -1.8628     1.2079     1.2394	H	1	noname	0.2104
21	H12    -0.1119     2.8881    -0.1545	H	1	noname	0.0256
22	H13     0.4715     2.0579    -1.6169	H	1	noname	0.0256
23	H14    -1.1256     2.8437    -1.6169	H	1	noname	0.0256
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	4	7	1
7	7	8	1
8	7	9	1
9	1	10	1
10	3	11	1
11	3	12	1
12	4	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	7	19	1
19	8	20	1
20	9	21	1
21	9	22	1
22	9	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1