@<TRIPOS>MOLECULE
DB04569
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.8834    -1.3289    -1.2889	O.2	1	noname	-0.2603
2	C1    -2.8947    -1.7137    -0.6865	C.2	1	noname	0.1333
3	O2    -1.9296    -0.8632    -0.3907	O.3	1	noname	-0.2085
4	C2    -0.7788    -1.3110     0.3105	C.3	1	noname	0.0812
5	C3     0.1337    -0.1898     0.5147	C.2	1	noname	-0.0434
6	C4     1.1086     0.0946    -0.4345	C.2	1	noname	-0.0497
7	C5     0.0276     0.5933     1.6582	C.2	1	noname	-0.0497
8	C6     1.9773     1.1621    -0.2401	C.2	1	noname	-0.0585
9	C7     0.8964     1.6608     1.8525	C.2	1	noname	-0.0585
10	C8     1.8712     1.9452     0.9034	C.2	1	noname	-0.0611
11	H1    -2.8746    -2.7714    -0.4241	H	1	noname	0.1386
12	H2    -1.1246    -1.6297     1.2939	H	1	noname	0.0624
13	H3    -0.2769    -2.0208    -0.3471	H	1	noname	0.0624
14	H4     1.1918    -0.5194    -1.3312	H	1	noname	0.0626
15	H5    -0.7369     0.3703     2.4024	H	1	noname	0.0626
16	H6     2.7418     1.3852    -0.9844	H	1	noname	0.0622
17	H7     0.8132     2.2749     2.7492	H	1	noname	0.0622
18	H8     2.5525     2.7824     1.0558	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	3	4	1
4	4	5	1
5	5	6	2
6	5	7	1
7	6	8	1
8	7	9	2
9	8	10	2
10	9	10	1
11	2	11	1
12	4	12	1
13	4	13	1
14	6	14	1
15	7	15	1
16	8	16	1
17	9	17	1
18	10	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1