@<TRIPOS>MOLECULE
DB03215
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.1684    -1.5899    -0.1346	O.2	1	noname	-0.2496
2	C1    -0.5038    -0.7008    -0.7094	C.2	1	noname	0.1438
3	O2    -0.4347    -0.6748    -2.0574	O.3	1	noname	-0.2139
4	C2     0.2315     0.3580     0.1149	C.3	1	noname	0.0940
5	N1     1.6658     0.3169    -0.1402	N.3	1	noname	-0.3020
6	C3    -0.1534     1.7894    -0.2549	C.3	1	noname	-0.0266
7	C4     2.1064     1.5339     0.5485	C.3	1	noname	0.0169
8	C5     1.0242     2.5890     0.2994	C.3	1	noname	-0.0352
9	C6     2.2152     1.2594     2.0497	C.3	1	noname	0.0489
10	C7     3.1841     0.1919     2.2803	C.2	1	noname	0.1356
11	O3     2.8274    -0.8645     2.8454	O.2	1	noname	-0.2554
12	O4     4.4652     0.3457     1.8833	O.3	1	noname	-0.2185
13	H1    -0.4175    -1.5736    -2.3943	H	1	noname	0.2213
14	H2     0.0063     0.1201     1.1545	H	1	noname	0.0573
15	H3     2.2053    -0.3662    -0.6526	H	1	noname	0.1233
16	H4    -0.1460     1.8767    -1.3414	H	1	noname	0.0288
17	H5    -1.0469     2.0604     0.3075	H	1	noname	0.0288
18	H6     3.0798     1.8343     0.1606	H	1	noname	0.0470
19	H7     1.3779     3.2536    -0.4888	H	1	noname	0.0283
20	H8     0.7258     2.9985     1.2645	H	1	noname	0.0283
21	H9     2.6337     2.1504     2.5178	H	1	noname	0.0388
22	H10     1.2538     0.8689     2.3835	H	1	noname	0.0388
23	H11     5.0331     0.4138     2.6542	H	1	noname	0.2213
@<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	9	1
9	7	8	1
10	9	10	1
11	10	11	2
12	10	12	1
13	3	13	1
14	4	14	1
15	5	15	1
16	6	16	1
17	6	17	1
18	7	18	1
19	8	19	1
20	8	20	1
21	9	21	1
22	9	22	1
23	12	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1