@<TRIPOS>MOLECULE
DB04564
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6774    -2.7543     0.3940	O.2	1	noname	-0.2420
2	C1     0.7554    -1.9281     0.5666	C.2	1	noname	0.1587
3	O2    -0.3333    -1.6912    -0.3741	O.3	1	noname	-0.1920
4	C2     0.6118    -1.0152     1.8088	C.3	1	noname	0.1680
5	C3    -0.4391    -0.3457    -0.8993	C.3	1	noname	0.1189
6	O3    -0.5463    -1.3898     2.5402	O.3	1	noname	-0.3798
7	C4     0.4620     0.4599     1.3161	C.3	1	noname	0.1181
8	C5    -0.6281     0.6913     0.2328	C.3	1	noname	0.1121
9	C6     0.8234    -0.0080    -1.6948	C.3	1	noname	0.0728
10	O4     1.7136     0.9279     0.8356	O.3	1	noname	-0.3869
11	O5    -1.9140     0.5295     0.8131	O.3	1	noname	-0.3874
12	O6     0.9656    -0.9256    -2.7691	O.3	1	noname	-0.3934
13	H1     1.4313    -1.1471     2.5152	H	1	noname	0.0739
14	H2    -1.3191    -0.3675    -1.5422	H	1	noname	0.0662
15	H3    -0.3637    -1.3307     3.4808	H	1	noname	0.2113
16	H4     0.2122     1.0823     2.1754	H	1	noname	0.0662
17	H5    -0.6233     1.7130    -0.1470	H	1	noname	0.0657
18	H6     0.6778     0.9661    -2.1617	H	1	noname	0.0592
19	H7     1.6850    -0.1798    -1.0496	H	1	noname	0.0592
20	H8     2.2825     1.1406     1.5791	H	1	noname	0.2107
21	H9    -1.8368     0.5393     1.7699	H	1	noname	0.2106
22	H10     0.9209    -1.8231    -2.4313	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	5	9	1
9	7	10	1
10	7	8	1
11	8	11	1
12	9	12	1
13	4	13	1
14	5	14	1
15	6	15	1
16	7	16	1
17	8	17	1
18	9	18	1
19	9	19	1
20	10	20	1
21	11	21	1
22	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1