@<TRIPOS>MOLECULE
DB04498
15 14 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9440    -2.4245     0.3520	O.2	1	noname	-0.2495
2	C1     1.8646    -1.1863     0.5045	C.2	1	noname	0.1439
3	O2     2.3967    -0.6058     1.6011	O.3	1	noname	-0.2139
4	C2     1.1965    -0.3680    -0.5032	C.3	1	noname	0.0979
5	N1     2.1416     0.6077    -1.0436	N.3	1	noname	-0.3190
6	C3     0.0159     0.3656     0.1364	C.3	1	noname	0.0278
7	C4    -0.6385     1.1671    -0.8506	C.2	1	noname	0.1243
8	O3    -1.6114     1.8369    -0.5454	O.2	1	noname	-0.3057
9	H1     2.6928    -1.2854     2.2111	H	1	noname	0.2213
10	H2     0.8789    -1.0218    -1.3155	H	1	noname	0.0576
11	H3     3.0964     0.3362    -1.2302	H	1	noname	0.1192
12	H4     1.8398     1.5533    -1.2302	H	1	noname	0.1192
13	H5    -0.7176    -0.3808     0.4412	H	1	noname	0.0365
14	H6     0.4143     1.0687     0.8678	H	1	noname	0.0365
15	H7    -0.3790     1.2744    -1.9038	H	1	noname	0.1041
@<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	2
8	3	9	1
9	4	10	1
10	5	11	1
11	5	12	1
12	6	13	1
13	6	14	1
14	7	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1