@<TRIPOS>MOLECULE
DB01795
16 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0102    -0.8056    -0.4133	O.3	1	noname	-0.2911
2	B1    -0.8459    -1.4654     0.3283	B	1	noname	0.1132
3	O2    -0.2878    -2.6126    -0.5162	O.3	1	noname	-0.2911
4	C1     0.2830    -0.4038     0.5803	C.2	1	noname	-0.0332
5	C2     0.8889     0.2350    -0.4953	C.2	1	noname	-0.0267
6	C3     0.6765    -0.1026     1.8790	C.2	1	noname	-0.0267
7	C4     1.8883     1.1750    -0.2722	C.2	1	noname	-0.0488
8	C5     1.6759     0.8373     2.1020	C.2	1	noname	-0.0488
9	C6     2.2818     1.4761     1.0264	C.2	1	noname	-0.0372
10	H1    -2.6354    -0.4513     0.2232	H	1	noname	0.1901
11	H2     0.0475    -3.3018     0.0618	H	1	noname	0.1901
12	H3     0.5803    -0.0011    -1.5137	H	1	noname	0.0618
13	H4     0.2013    -0.6035     2.7224	H	1	noname	0.0618
14	H5     2.3634     1.6759    -1.1157	H	1	noname	0.0622
15	H6     1.9845     1.0735     3.1204	H	1	noname	0.0622
16	H7     3.0656     2.2132     1.2014	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	2
9	8	9	1
10	1	10	1
11	3	11	1
12	5	12	1
13	6	13	1
14	7	14	1
15	8	15	1
16	9	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1