@<TRIPOS>MOLECULE
DB02985
16 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     3.6857     1.9323    -0.0448	I	1	noname	-0.0032
2	C1     1.7414     1.2833    -0.0141	C.2	1	noname	-0.0084
3	N1     1.3710    -0.0162    -0.0116	N.2	1	noname	-0.1910
4	N2     0.6642     2.1005     0.0063	N.3	1	noname	-0.0065
5	C2     0.0317    -0.0161     0.0052	C.2	1	noname	0.0605
6	C3    -0.4203     1.3030     0.0665	C.2	1	noname	-0.0166
7	C4    -0.9179    -1.0664     0.0188	C.2	1	noname	0.0570
8	N3    -1.7548     1.6074     0.1749	N.3	1	noname	0.0910
9	O1    -0.5410    -2.3606    -0.0553	O.3	1	noname	-0.2484
10	N4    -2.2357    -0.7083     0.1106	N.2	1	noname	-0.1700
11	C5    -2.6785     0.5930     0.2085	C.2	1	noname	0.0420
12	N5    -3.9510     0.8556     0.3307	N.2	1	noname	-0.2387
13	H1     0.6687     3.1102    -0.0187	H	1	noname	0.1548
14	H2    -2.0547     2.5703     0.2296	H	1	noname	0.0682
15	H3    -0.4377    -2.7151     0.8308	H	1	noname	0.2199
16	H4    -4.1919     0.9053     1.3103	H	1	noname	0.1893
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	5	6	2
8	6	8	1
9	7	9	1
10	7	10	2
11	8	11	1
12	10	11	1
13	11	12	2
14	4	13	1
15	8	14	1
16	9	15	1
17	12	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1