@<TRIPOS>MOLECULE
DB02517
19 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9440    -2.4245     0.3520	O.2	1	noname	-0.2496
2	C1     1.8646    -1.1863     0.5045	C.2	1	noname	0.1437
3	O2     2.3967    -0.6058     1.6011	O.3	1	noname	-0.2140
4	C2     1.1965    -0.3680    -0.5032	C.3	1	noname	0.0918
5	N1     2.1416     0.6077    -1.0436	N.3	1	noname	-0.3194
6	C3     0.0159     0.3656     0.1364	C.3	1	noname	-0.0190
7	C4    -0.6843     1.2231    -0.9197	C.3	1	noname	0.0354
8	C5    -1.8108     1.9231    -0.3094	C.2	1	noname	0.1348
9	O3    -2.5232     2.6829    -1.0006	O.2	1	noname	-0.2559
10	O4    -2.0831     1.7499     1.0015	O.3	1	noname	-0.2189
11	H1     2.6928    -1.2854     2.2111	H	1	noname	0.2213
12	H2     0.8789    -1.0218    -1.3155	H	1	noname	0.0571
13	H3     3.0964     0.3362    -1.2302	H	1	noname	0.1191
14	H4     1.8398     1.5533    -1.2302	H	1	noname	0.1191
15	H5    -0.6982    -0.3974     0.4461	H	1	noname	0.0293
16	H6     0.4337     1.0521     0.8728	H	1	noname	0.0293
17	H7     0.0162     1.9976    -1.2321	H	1	noname	0.0373
18	H8    -1.1157     0.5481    -1.6588	H	1	noname	0.0373
19	H9    -2.1240     0.8113     1.1985	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	8	9	2
9	8	10	1
10	3	11	1
11	4	12	1
12	5	13	1
13	5	14	1
14	6	15	1
15	6	16	1
16	7	17	1
17	7	18	1
18	10	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1