@<TRIPOS>MOLECULE
DB03134
25 24 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	-0.0508
8	C5    -0.9364     1.1059    -0.2801	C.3	1	noname	-0.0439
9	C6    -1.9783     1.4803    -1.3361	C.3	1	noname	0.0335
10	C7    -3.0138     2.3090    -0.7258	C.2	1	noname	0.1348
11	O3    -3.9676     2.7274    -1.4171	O.2	1	noname	-0.2559
12	O4    -2.9413     2.6234     0.5850	O.3	1	noname	-0.2189
13	H1     2.9614    -2.9984     1.4194	H	1	noname	0.2213
14	H2     2.7864    -0.4880    -1.3155	H	1	noname	0.0571
15	H3     0.6788    -2.2524    -1.2302	H	1	noname	0.1191
16	H4     2.2451    -3.0314    -1.2302	H	1	noname	0.1191
17	H5     0.6826    -0.7596     0.8728	H	1	noname	0.0288
18	H6     1.6720     0.7907     0.4461	H	1	noname	0.0288
19	H7     0.6567     0.8601    -1.6561	H	1	noname	0.0267
20	H8    -0.3326    -0.6902    -1.2294	H	1	noname	0.0267
21	H9    -1.4444     0.4832     0.4563	H	1	noname	0.0272
22	H10    -0.4551     2.0336     0.0297	H	1	noname	0.0272
23	H11    -1.4857     2.1120    -2.0752	H	1	noname	0.0372
24	H12    -2.4750     0.5617    -1.6486	H	1	noname	0.0372
25	H13    -2.9124     1.8178     1.1063	H	1	noname	0.2213
@<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	10	11	2
11	10	12	1
12	3	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	8	21	1
21	8	22	1
22	9	23	1
23	9	24	1
24	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1