@<TRIPOS>MOLECULE
90478374
13 12 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1317     0.0040    -0.3076	O.3	1	noname	-0.1429
2	O2    -1.9301     1.0029    -1.3045	O.3	1	noname	-0.1317
3	O3     2.1935    -0.9948     0.6892	O.3	1	noname	-0.1317
4	O4    -0.5534     2.3270     0.3061	O.3	1	noname	-0.2511
5	O5     2.3830     0.8477    -0.9875	O.3	1	noname	-0.2511
6	O6     4.2881    -1.7089     1.6389	O.2	1	noname	-0.2833
7	O7    -3.7847     2.2021    -2.2642	O.2	1	noname	-0.2833
8	B1    -0.5076     1.2951    -0.8226	B	1	noname	0.2158
9	B2     1.5542     0.2963     0.1743	B	1	noname	0.2158
10	B3     3.5323    -0.7198     1.1428	B	1	noname	0.3293
11	B4    -2.5318     2.2180    -1.7892	B	1	noname	0.3293
12	H1    -1.0844     1.9738     1.0503	H	1	noname	0.1925
13	H2     2.4124     0.1867    -1.7105	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	9	1
6	3	10	1
7	4	8	1
8	4	12	1
9	5	9	1
10	5	13	1
11	6	10	2
12	7	11	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1