@<TRIPOS>MOLECULE
DB04001
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9306    -3.6651     0.0328	O.2	1	noname	-0.2580
2	C1    -0.6839    -3.6395     0.1207	C.2	1	noname	0.0917
3	O2     0.0086    -4.7930     0.2325	O.3	1	noname	-0.2179
4	C2    -0.0107    -2.4236     0.1034	C.2	1	noname	0.0257
5	C3     1.4222    -2.4061     0.2051	C.2	1	noname	0.0355
6	C4    -0.7571    -1.2037    -0.0158	C.2	1	noname	0.0150
7	N1     2.0919    -3.5634     0.2927	N.3	1	noname	-0.1048
8	C5     2.1475    -1.1666     0.2143	C.2	1	noname	-0.0037
9	C6    -0.0200     0.0121    -0.0020	C.2	1	noname	-0.0193
10	C7     3.3356    -3.6566    -0.1974	C.2	1	noname	0.1867
11	C8     1.3838     0.0318     0.1274	C.2	1	noname	-0.0673
12	C9    -0.4483     1.3209    -0.1593	C.2	1	noname	-0.0229
13	O3     3.9604    -4.7362    -0.1156	O.2	1	noname	-0.2375
14	C10     3.9310    -2.5527    -0.7965	C.2	1	noname	0.1747
15	N2     1.7871     1.3092     0.0740	N.3	1	noname	-0.0753
16	C11     0.7092     2.0995    -0.1080	C.2	1	noname	-0.1080
17	O4     5.0912    -2.6396    -1.2537	O.2	1	noname	-0.2256
18	O5     3.2563    -1.3867    -0.8848	O.3	1	noname	-0.1950
19	H1     0.1342    -5.0021     1.1610	H	1	noname	0.2216
20	H2    -1.8427    -1.2007    -0.1131	H	1	noname	0.0638
21	H3     1.6593    -4.3655     0.7281	H	1	noname	0.1376
22	H4     3.2348    -1.1366     0.2845	H	1	noname	0.0659
23	H5    -1.4741     1.6639    -0.2942	H	1	noname	0.0642
24	H6     2.7433     1.6237     0.1569	H	1	noname	0.1522
25	H7     0.7643     3.1844    -0.1984	H	1	noname	0.0789
26	H8     3.0668    -1.0592    -0.0025	H	1	noname	0.2218
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	2
9	7	10	1
10	8	11	2
11	9	12	1
12	9	11	1
13	10	13	2
14	10	14	1
15	11	15	1
16	12	16	2
17	14	17	2
18	14	18	1
19	15	16	1
20	3	19	1
21	6	20	1
22	7	21	1
23	8	22	1
24	12	23	1
25	15	24	1
26	16	25	1
27	18	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1