@<TRIPOS>MOLECULE
DB01121
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.0942    -3.5299     0.8641	O.2	1	noname	-0.2883
2	C1    -3.6209    -2.4045     0.5957	C.2	1	noname	-0.0059
3	N1    -2.2945    -2.2144     0.6114	N.3	1	noname	0.0754
4	N2    -4.4399    -1.3882     0.2924	N.3	1	noname	-0.0778
5	C2    -1.7872    -1.0080     0.3237	C.2	1	noname	0.0866
6	O2    -2.4428     0.0240     0.5841	O.2	1	noname	-0.2868
7	C3    -0.4687    -0.8988    -0.2938	C.3	1	noname	0.0468
8	C4    -0.1452     0.5091    -0.5048	C.2	1	noname	-0.0512
9	C5     0.5159     1.2262     0.4856	C.2	1	noname	-0.0548
10	C6    -0.4981     1.1325    -1.6959	C.2	1	noname	-0.0548
11	C7     0.8240     2.5667     0.2848	C.2	1	noname	-0.0599
12	C8    -0.1901     2.4730    -1.8967	C.2	1	noname	-0.0599
13	C9     0.4710     3.1901    -0.9064	C.2	1	noname	-0.0615
14	H1    -1.6772    -2.9804     0.8400	H	1	noname	0.1414
15	H2    -4.0675    -0.4564     0.1781	H	1	noname	0.1285
16	H3    -5.4296    -1.5541     0.1781	H	1	noname	0.1285
17	H4     0.2505    -1.2820     0.4301	H	1	noname	0.0411
18	H5    -0.5447    -1.3555    -1.2806	H	1	noname	0.0411
19	H6     0.7927     0.7374     1.4197	H	1	noname	0.0625
20	H7    -1.0165     0.5702    -2.4726	H	1	noname	0.0625
21	H8     1.3424     3.1290     1.0614	H	1	noname	0.0622
22	H9    -0.4669     2.9618    -2.8308	H	1	noname	0.0622
23	H10     0.7126     4.2412    -1.0638	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	5	6	2
6	5	7	1
7	7	8	1
8	8	9	2
9	8	10	1
10	9	11	1
11	10	12	2
12	11	13	2
13	12	13	1
14	3	14	1
15	4	15	1
16	4	16	1
17	7	17	1
18	7	18	1
19	9	19	1
20	10	20	1
21	11	21	1
22	12	22	1
23	13	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1