@<TRIPOS>MOLECULE
DB02428
20 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.8877     1.6394    -0.9440	O.2	1	noname	-0.2486
2	C1     3.3605     1.6081     0.1889	C.2	1	noname	0.1108
3	O2     4.0376     2.0702     1.2615	O.3	1	noname	-0.2111
4	C2     2.0771     1.0975     0.3444	C.2	1	noname	0.0454
5	N1     1.6263     0.1140    -0.5025	N.2	1	noname	-0.2002
6	C3     1.2469     1.5914     1.3687	C.2	1	noname	0.0183
7	C4     0.3488    -0.3943    -0.4384	C.2	1	noname	0.0290
8	C5    -0.0693     1.0722     1.5086	C.2	1	noname	-0.0159
9	C6    -0.5546     0.1058     0.5859	C.2	1	noname	0.0298
10	C7    -0.1061    -1.2972    -1.4440	C.2	1	noname	-0.0126
11	C8    -1.9307    -0.2722     0.5943	C.2	1	noname	-0.0372
12	C9    -1.4871    -1.6395    -1.4448	C.2	1	noname	-0.0534
13	C10    -2.3873    -1.1281    -0.4472	C.2	1	noname	-0.0556
14	H1     4.3635     1.3293     1.7778	H	1	noname	0.2217
15	H2     1.6175     2.3635     2.0429	H	1	noname	0.0647
16	H3    -0.7067     1.4153     2.3236	H	1	noname	0.0630
17	H4     0.5773    -1.7108    -2.1856	H	1	noname	0.0645
18	H5    -2.6101     0.0808     1.3701	H	1	noname	0.0629
19	H6    -1.8617    -2.3048    -2.2227	H	1	noname	0.0623
20	H7    -3.4432    -1.3963    -0.4813	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	1
9	7	10	2
10	8	9	1
11	9	11	2
12	10	12	1
13	11	13	1
14	12	13	2
15	3	14	1
16	6	15	1
17	8	16	1
18	10	17	1
19	11	18	1
20	12	19	1
21	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1