@<TRIPOS>MOLECULE
DB02853
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9461    -1.0973    -0.9936	O.2	1	noname	-0.2496
2	C1    -1.0159    -0.7835    -0.2198	C.2	1	noname	0.1438
3	O2    -0.9381    -1.3458     1.0051	O.3	1	noname	-0.2139
4	C2     0.0323     0.2358    -0.6599	C.3	1	noname	0.0938
5	N1     1.3660    -0.3470    -0.6534	N.3	1	noname	-0.3053
6	C3     0.1562     1.4234     0.2940	C.3	1	noname	-0.0269
7	C4     2.1949     0.8568    -0.8723	C.3	1	noname	-0.0040
8	C5     1.5096     1.9958    -0.1228	C.3	1	noname	-0.0386
9	H1    -0.9436    -2.3019     0.9192	H	1	noname	0.2213
10	H2    -0.2618     0.5337    -1.6663	H	1	noname	0.0573
11	H3     1.6387    -1.3119    -0.5317	H	1	noname	0.1230
12	H4    -0.6179     2.1494     0.0457	H	1	noname	0.0288
13	H5     0.2401     1.0427     1.3119	H	1	noname	0.0288
14	H6     3.1564     0.6708    -0.3936	H	1	noname	0.0428
15	H7     2.1512     1.0821    -1.9378	H	1	noname	0.0428
16	H8     1.3264     2.8003    -0.8350	H	1	noname	0.0280
17	H9     2.0829     2.1903     0.7837	H	1	noname	0.0280
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	4	2	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	7	8	1
9	3	9	1
10	4	10	1
11	5	11	1
12	6	12	1
13	6	13	1
14	7	14	1
15	7	15	1
16	8	16	1
17	8	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1