@<TRIPOS>MOLECULE
DB03978
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6786    -3.9812    -0.3796	O.2	1	noname	-0.2996
2	C1    -2.0608    -2.8242    -0.3180	C.2	1	noname	0.1348
3	C2    -1.1946    -1.7623    -0.7266	C.3	1	noname	0.0646
4	N1    -1.8151    -1.0224    -1.8243	N.3	1	noname	-0.3215
5	C3    -0.9539    -0.8181     0.4530	C.3	1	noname	-0.0058
6	C4    -0.0695     0.2662     0.0358	C.2	1	noname	-0.0660
7	C5     1.3076     0.1286     0.1653	C.2	1	noname	-0.0475
8	C6    -0.6047     1.4359    -0.4908	C.2	1	noname	-0.0475
9	C7     2.1495     1.1609    -0.2319	C.2	1	noname	-0.0312
10	C8     0.2372     2.4681    -0.8880	C.2	1	noname	-0.0312
11	C9     1.6143     2.3306    -0.7585	C.2	1	noname	-0.0019
12	O2     2.4320     3.3332    -1.1442	O.3	1	noname	-0.2861
13	H1    -3.0783    -2.7468     0.0653	H	1	noname	0.1058
14	H2    -0.2749    -2.2217    -1.0886	H	1	noname	0.0545
15	H3    -2.7909    -0.7668    -1.7731	H	1	noname	0.1191
16	H4    -1.2679    -0.7668    -2.6339	H	1	noname	0.1191
17	H5    -1.9067    -0.3497     0.6996	H	1	noname	0.0336
18	H6    -0.4072    -1.3748     1.2141	H	1	noname	0.0336
19	H7     1.7272    -0.7887     0.5783	H	1	noname	0.0626
20	H8    -1.6846     1.5437    -0.5923	H	1	noname	0.0626
21	H9     3.2294     1.0530    -0.1303	H	1	noname	0.0650
22	H10    -0.1825     3.3854    -1.3010	H	1	noname	0.0650
23	H11     2.7893     3.7712    -0.3683	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	3	4	1
4	3	5	1
5	5	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	8	10	2
10	9	11	2
11	10	11	1
12	11	12	1
13	2	13	1
14	3	14	1
15	4	15	1
16	4	16	1
17	5	17	1
18	5	18	1
19	7	19	1
20	8	20	1
21	9	21	1
22	10	22	1
23	12	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1