@<TRIPOS>MOLECULE
DB04499
17 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9296    -0.8632    -0.3907	O.3	1	noname	-0.3679
2	C1    -0.7788    -1.3110     0.3105	C.3	1	noname	0.1061
3	C2    -0.9729    -1.5441    -1.1891	C.3	1	noname	0.0781
4	C3     0.1337    -0.1898     0.5147	C.2	1	noname	-0.0414
5	C4     1.1086     0.0946    -0.4345	C.2	1	noname	-0.0483
6	C5     0.0276     0.5933     1.6582	C.2	1	noname	-0.0483
7	C6     1.9773     1.1621    -0.2401	C.2	1	noname	-0.0582
8	C7     0.8964     1.6608     1.8525	C.2	1	noname	-0.0582
9	C8     1.8712     1.9452     0.9034	C.2	1	noname	-0.0610
10	H1    -0.5858    -1.9076     1.2021	H	1	noname	0.0679
11	H2    -1.2430    -2.5564    -1.4899	H	1	noname	0.0597
12	H3    -0.3817    -0.9167    -1.8562	H	1	noname	0.0597
13	H4     1.1918    -0.5194    -1.3312	H	1	noname	0.0626
14	H5    -0.7369     0.3703     2.4024	H	1	noname	0.0626
15	H6     2.7418     1.3852    -0.9844	H	1	noname	0.0622
16	H7     0.8132     2.2749     2.7492	H	1	noname	0.0622
17	H8     2.5525     2.7824     1.0558	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	3	1
5	4	5	2
6	4	6	1
7	5	7	1
8	6	8	2
9	7	9	2
10	8	9	1
11	2	10	1
12	3	11	1
13	3	12	1
14	5	13	1
15	6	14	1
16	7	15	1
17	8	16	1
18	9	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1