@<TRIPOS>MOLECULE
119025719
13 14 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6932    -0.6980    -0.1305	O.3	1	noname	-0.3388
2	O2    -1.6425     0.1122    -0.8593	O.3	1	noname	-0.3370
3	O3    -0.4327     1.1638     1.2940	O.3	1	noname	-0.1282
4	O4     0.4743     0.7433    -2.2277	O.3	1	noname	-0.3370
5	O5     1.7992     1.6139    -0.0076	O.3	1	noname	-0.1282
6	O6    -1.8293     0.9640    -3.2124	O.3	1	noname	-0.2316
7	O7     1.0117     3.1566     1.8216	O.3	1	noname	-0.2533
8	B1    -0.5803     0.0503     0.2430	B	1	noname	0.3851
9	B2     1.2022     0.5102    -0.8951	B	1	noname	0.3851
10	B3     0.5547     2.2101     0.7098	B	1	noname	0.2095
11	B4    -1.0152     1.0422    -1.9194	B	1	noname	0.3894
12	H1    -2.7512     1.2454    -3.0355	H	1	noname	0.1925
13	H2     0.2333     3.6171     2.1990	H	1	noname	0.1925
@<TRIPOS>BOND
1	1	8	1
2	1	9	1
3	2	8	1
4	2	11	1
5	3	8	1
6	3	10	1
7	4	9	1
8	4	11	1
9	5	9	1
10	5	10	1
11	6	11	1
12	6	12	1
13	7	10	1
14	7	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1