@<TRIPOS>MOLECULE
DB02185
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2231     0.8222    -1.0056	O.2	1	noname	-0.2411
2	C1     2.0658     0.9485    -0.5505	C.2	1	noname	0.1956
3	N1     1.3098    -0.1308     0.0103	N.3	1	noname	-0.0993
4	C2     1.2861     2.2985    -0.5307	C.3	1	noname	0.2382
5	O2     1.9183    -1.2667     0.1825	O.3	1	noname	-0.2389
6	C3     0.0007    -0.0549     0.3764	C.2	1	noname	0.0115
7	O3    -0.1597     2.1734    -0.6336	O.3	1	noname	-0.2367
8	O4     1.7225     3.0356    -1.6636	O.3	1	noname	-0.3605
9	C4    -0.7448     1.1315     0.0575	C.2	1	noname	0.0497
10	C5    -0.5937    -1.1431     1.0665	C.2	1	noname	-0.0014
11	C6    -2.1183     1.2374     0.4107	C.2	1	noname	0.0140
12	C7    -1.9762    -1.0310     1.4084	C.2	1	noname	-0.0276
13	C8    -2.7258     0.1347     1.0856	C.2	1	noname	0.0166
14	O5    -4.0315     0.1995     1.4224	O.3	1	noname	-0.2753
15	C9    -4.8204    -0.3173     0.3609	C.3	1	noname	0.0423
16	H1     1.4561     2.8440     0.3975	H	1	noname	0.1030
17	H2     2.0115    -1.4406     1.1220	H	1	noname	0.2388
18	H3     1.9896     2.4280    -2.3572	H	1	noname	0.2138
19	H4    -0.0123    -2.0285     1.3234	H	1	noname	0.0642
20	H5    -2.6875     2.1357     0.1716	H	1	noname	0.0678
21	H6    -2.4699    -1.8528     1.9269	H	1	noname	0.0650
22	H7    -4.7991    -1.4067     0.3895	H	1	noname	0.0535
23	H8    -5.8481     0.0290     0.4700	H	1	noname	0.0535
24	H9    -4.4195     0.0290    -0.5917	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	2
9	6	10	1
10	7	9	1
11	9	11	1
12	10	12	2
13	11	13	2
14	12	13	1
15	13	14	1
16	14	15	1
17	4	16	1
18	5	17	1
19	8	18	1
20	10	19	1
21	11	20	1
22	12	21	1
23	15	22	1
24	15	23	1
25	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1