@<TRIPOS>MOLECULE
DB01776
16 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6750    -1.1691     0.0000	O.3	1	noname	-0.2861
2	C1     0.0000     0.0000     0.0000	C.2	1	noname	-0.0047
3	C2     1.3900     0.0000     0.0000	C.2	1	noname	-0.0388
4	C3    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0422
5	C4     2.0850     1.2038     0.0000	C.2	1	noname	-0.0506
6	C5    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0550
7	C6     1.3900     2.4076     0.0000	C.2	1	noname	-0.0790
8	C7     3.5450     1.2038     0.0000	C.3	1	noname	-0.0005
9	H1    -0.8350    -1.4463     0.9051	H	1	noname	0.2181
10	H2     1.9350    -0.9440     0.0000	H	1	noname	0.0652
11	H3    -1.7850     1.2038     0.0000	H	1	noname	0.0650
12	H4    -0.5450     3.3515     0.0000	H	1	noname	0.0623
13	H5     1.9350     3.3515     0.0000	H	1	noname	0.0625
14	H6     3.9083     1.2038     1.0277	H	1	noname	0.0279
15	H7     3.9083     0.3138    -0.5138	H	1	noname	0.0279
16	H8     3.9083     2.0938    -0.5138	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	5	8	1
8	6	7	1
9	1	9	1
10	3	10	1
11	4	11	1
12	6	12	1
13	7	13	1
14	8	14	1
15	8	15	1
16	8	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1