@<TRIPOS>MOLECULE
72941481
12 11 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.6500    -0.7195     0.1945	O.3	1	noname	-0.3957
2	O2    -1.8319     1.0374    -0.2190	O.3	1	noname	-0.2183
3	O3    -0.0048     2.3128     0.1086	O.2	1	noname	-0.2552
4	C1     0.3603    -0.0037    -0.0313	C.3	1	noname	0.0566
5	C2     1.8127     0.4273     0.1826	C.3	1	noname	0.0525
6	C3    -0.5005     1.1755    -0.0435	C.2	1	noname	0.1359
7	H1     0.0555    -0.6677     0.7776	H	1	noname	0.0396
8	H2     0.2731    -0.5271    -0.9834	H	1	noname	0.0396
9	H3     1.8999     0.9507     1.1347	H	1	noname	0.0568
10	H4     2.1175     1.0914    -0.6263	H	1	noname	0.0568
11	H5     3.5802    -0.4434     0.3315	H	1	noname	0.2100
12	H6    -2.4489     1.6826     0.1852	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	5	1
2	1	11	1
3	2	6	1
4	2	12	1
5	3	6	2
6	4	5	1
7	4	6	1
8	4	7	1
9	4	8	1
10	5	9	1
11	5	10	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1