@<TRIPOS>MOLECULE
DB02961
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5738    -1.0085    -4.1705	O.2	1	noname	-0.2944
2	C1     2.1645    -1.0096    -3.1031	C.2	1	noname	0.1451
3	C2     1.7666    -1.9112    -2.0668	C.3	1	noname	0.1376
4	O2     2.8542    -2.7623    -1.7365	O.3	1	noname	-0.3827
5	C3     1.3492    -1.1137    -0.8295	C.3	1	noname	0.1151
6	O3     0.2615    -0.2626    -1.1598	O.3	1	noname	-0.3870
7	C4     0.9235    -2.0783     0.2792	C.3	1	noname	0.1085
8	O4     0.5360    -1.3382     1.4275	O.3	1	noname	-0.3875
9	C5     2.0954    -2.9953     0.6351	C.3	1	noname	0.0799
10	O5     1.7003    -3.8906     1.6641	O.3	1	noname	-0.3905
11	C6     3.2754    -2.1504     1.1193	C.3	1	noname	-0.0363
12	H1     2.9701    -0.2759    -3.0776	H	1	noname	0.1071
13	H2     0.9712    -2.5427    -2.4624	H	1	noname	0.0708
14	H3     2.9336    -2.8244    -0.7818	H	1	noname	0.2111
15	H4     2.1471    -0.4505    -0.4955	H	1	noname	0.0660
16	H5    -0.1493     0.0589    -0.3539	H	1	noname	0.2107
17	H6     0.0424    -2.6518    -0.0086	H	1	noname	0.0656
18	H7     0.2979    -1.9438     2.1332	H	1	noname	0.2106
19	H8     2.3771    -3.6265    -0.2078	H	1	noname	0.0625
20	H9     1.8158    -4.7949     1.3633	H	1	noname	0.2105
21	H10     3.2912    -2.1391     2.2092	H	1	noname	0.0257
22	H11     4.2060    -2.5787     0.7469	H	1	noname	0.0257
23	H12     3.1697    -1.1315     0.7469	H	1	noname	0.0257
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	3	4	1
4	3	5	1
5	5	6	1
6	5	7	1
7	7	8	1
8	7	9	1
9	9	10	1
10	9	11	1
11	2	12	1
12	3	13	1
13	4	14	1
14	5	15	1
15	6	16	1
16	7	17	1
17	8	18	1
18	9	19	1
19	10	20	1
20	11	21	1
21	11	22	1
22	11	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1