@<TRIPOS>MOLECULE
DB03872
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.2211     0.5052     0.1155	O.3	1	noname	-0.3471
2	C1     1.5523    -0.0887    -0.0215	C.3	1	noname	0.1548
3	C2    -0.4947     1.0098    -1.0580	C.3	1	noname	0.0838
4	O2     1.4460    -1.5040     0.0236	O.3	1	noname	-0.3679
5	C3     2.3669     0.3306    -1.2801	C.3	1	noname	0.0007
6	C4    -0.0587     0.4273    -2.4346	C.3	1	noname	0.0803
7	C5    -1.9981     0.7988    -0.8681	C.3	1	noname	-0.0360
8	C6     1.4936     0.3447    -2.5735	C.3	1	noname	-0.0197
9	O3    -0.5850     1.2340    -3.4780	O.3	1	noname	-0.3903
10	H1     2.0717     0.2465     0.8762	H	1	noname	0.0919
11	H2    -0.2097     2.0618    -1.0473	H	1	noname	0.0628
12	H3     1.4242    -1.7943     0.9384	H	1	noname	0.2133
13	H4     2.6763     1.3619    -1.1105	H	1	noname	0.0319
14	H5     3.1170    -0.4463    -1.4277	H	1	noname	0.0319
15	H6    -0.5032    -0.5571    -2.5810	H	1	noname	0.0627
16	H7    -2.2288     0.7665     0.1968	H	1	noname	0.0258
17	H8    -2.5420     1.6212    -1.3328	H	1	noname	0.0258
18	H9    -2.2946    -0.1415    -1.3328	H	1	noname	0.0258
19	H10     1.7750     1.2636    -3.0878	H	1	noname	0.0295
20	H11     1.6787    -0.6213    -3.0433	H	1	noname	0.0295
21	H12    -0.9351     0.6709    -4.1722	H	1	noname	0.2105
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	5	8	1
8	6	9	1
9	6	8	1
10	2	10	1
11	3	11	1
12	4	12	1
13	5	13	1
14	5	14	1
15	6	15	1
16	7	16	1
17	7	17	1
18	7	18	1
19	8	19	1
20	8	20	1
21	9	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1