@<TRIPOS>MOLECULE
DB03412
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.4638    -1.0247     0.3520	O.2	1	noname	-0.2496
2	C1     3.2700    -1.3625     0.5045	C.2	1	noname	0.1437
3	O2     2.9001    -2.0577     1.6011	O.3	1	noname	-0.2140
4	C2     2.2758    -1.0054    -0.5032	C.3	1	noname	0.0912
5	N1     1.6709    -2.2217    -1.0436	N.3	1	noname	-0.3194
6	C3     1.1906    -0.1369     0.1364	C.3	1	noname	-0.0283
7	C4     0.1487     0.2374    -0.9197	C.3	1	noname	-0.0491
8	C5    -0.9364     1.1059    -0.2801	C.3	1	noname	-0.0298
9	C6    -1.9783     1.4803    -1.3361	C.3	1	noname	0.0432
10	O3    -2.9855     2.2863    -0.7425	O.3	1	noname	-0.3962
11	H1     2.9614    -2.9984     1.4194	H	1	noname	0.2213
12	H2     2.7864    -0.4880    -1.3155	H	1	noname	0.0571
13	H3     0.6788    -2.2524    -1.2302	H	1	noname	0.1191
14	H4     2.2451    -3.0314    -1.2302	H	1	noname	0.1191
15	H5     0.6826    -0.7596     0.8728	H	1	noname	0.0288
16	H6     1.6720     0.7907     0.4461	H	1	noname	0.0288
17	H7     0.6567     0.8601    -1.6561	H	1	noname	0.0268
18	H8    -0.3326    -0.6902    -1.2294	H	1	noname	0.0268
19	H9    -1.4444     0.4832     0.4563	H	1	noname	0.0290
20	H10    -0.4551     2.0336     0.0297	H	1	noname	0.0290
21	H11    -1.4948     2.1174    -2.0766	H	1	noname	0.0563
22	H12    -2.4841     0.5671    -1.6500	H	1	noname	0.0563
23	H13    -2.9170     2.2315     0.2134	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	3	11	1
11	4	12	1
12	5	13	1
13	5	14	1
14	6	15	1
15	6	16	1
16	7	17	1
17	7	18	1
18	8	19	1
19	8	20	1
20	9	21	1
21	9	22	1
22	10	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1