@<TRIPOS>MOLECULE
73425482
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.9534     1.1097     0.1039	O.3	1	noname	-0.2021
2	O2     0.3047     0.0757    -1.4518	O.2	1	noname	-0.2475
3	N1    -1.8080    -1.6588     0.4741	N.3	1	noname	-0.3183
4	N2     0.2956    -3.5891     0.3253	N.3	1	noname	-0.3284
5	C1    -0.4097    -1.2500     0.3514	C.3	1	noname	0.1038
6	C2     0.3715    -2.3255    -0.4062	C.3	1	noname	0.0173
7	C3    -0.3339     0.0119    -0.3791	C.2	1	noname	0.1494
8	C4    -1.4417     2.1001    -0.7889	C.3	1	noname	0.0536
9	C5    -2.0951     3.2295     0.0101	C.3	1	noname	-0.0409
10	H1     0.0197    -1.1210     1.3449	H	1	noname	0.0585
11	H2    -0.0579    -2.4545    -1.3997	H	1	noname	0.0447
12	H3     1.4140    -2.0207    -0.4977	H	1	noname	0.0447
13	H4    -2.3298    -0.9403     0.9801	H	1	noname	0.1192
14	H5    -2.2106    -1.7797    -0.4574	H	1	noname	0.1192
15	H6    -2.1783     1.6549    -1.4578	H	1	noname	0.0570
16	H7    -0.6144     2.5009    -1.3746	H	1	noname	0.0570
17	H8     0.8174    -4.3075    -0.1807	H	1	noname	0.1184
18	H9    -0.6819    -3.8749     0.4111	H	1	noname	0.1184
19	H10    -2.4699     3.9897    -0.6753	H	1	noname	0.0254
20	H11    -2.9224     2.8287     0.5958	H	1	noname	0.0254
21	H12    -1.3585     3.6747     0.6789	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	7	1
2	1	8	1
3	2	7	2
4	5	3	1
5	3	13	1
6	3	14	1
7	4	6	1
8	4	17	1
9	4	18	1
10	5	6	1
11	5	7	1
12	5	10	1
13	6	11	1
14	6	12	1
15	8	9	1
16	8	15	1
17	8	16	1
18	9	19	1
19	9	20	1
20	9	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1