@<TRIPOS>MOLECULE
DB04584
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.1647    -2.7243    -0.3661	O.2	1	noname	-0.2545
2	C1    -2.6333    -1.7399     0.1917	C.2	1	noname	0.0920
3	O2    -3.1665    -1.2374     1.3256	O.3	1	noname	-0.2152
4	C2    -1.5181    -1.1750    -0.3438	C.2	1	noname	-0.0162
5	N1    -1.3226    -1.2114    -1.6386	N.3	1	noname	-0.1357
6	C3    -0.6259    -0.5855     0.4471	C.2	1	noname	-0.0072
7	C4     0.4893    -0.0206    -0.0884	C.2	1	noname	-0.0431
8	C5     1.0383    -0.5379    -1.2559	C.2	1	noname	-0.0469
9	C6     1.0802     1.0740     0.5319	C.2	1	noname	-0.0469
10	C7     2.1781     0.0394    -1.8032	C.2	1	noname	-0.0578
11	C8     2.2200     1.6514    -0.0154	C.2	1	noname	-0.0578
12	C9     2.7690     1.1341    -1.1830	C.2	1	noname	-0.0583
13	H1    -3.4362    -1.9584     1.8992	H	1	noname	0.2217
14	H2    -2.1121    -1.2255    -2.2684	H	1	noname	0.1244
15	H3    -0.3823    -1.2255    -2.0072	H	1	noname	0.1244
16	H4    -0.8067    -0.5656     1.5218	H	1	noname	0.0647
17	H5     0.5749    -1.3963    -1.7423	H	1	noname	0.0628
18	H6     0.6497     1.4797     1.4474	H	1	noname	0.0628
19	H7     2.6086    -0.3662    -2.7188	H	1	noname	0.0622
20	H8     2.6834     2.5098     0.4709	H	1	noname	0.0622
21	H9     3.6628     1.5868    -1.6122	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	2
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	11	12	1
13	3	13	1
14	5	14	1
15	5	15	1
16	6	16	1
17	8	17	1
18	9	18	1
19	10	19	1
20	11	20	1
21	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1