@<TRIPOS>MOLECULE
DB03590
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7516     3.2050    -2.2352	O.2	1	noname	-0.2496
2	C1    -1.5407     2.4946    -1.5756	C.2	1	noname	0.1437
3	O2    -2.3422     1.6107    -2.2072	O.3	1	noname	-0.2140
4	C2    -1.5957     2.6207    -0.1221	C.3	1	noname	0.0912
5	N1    -2.9441     3.0151     0.2822	N.3	1	noname	-0.3194
6	C3    -1.2430     1.2775     0.5200	C.3	1	noname	-0.0283
7	C4    -1.3006     1.4096     2.0432	C.3	1	noname	-0.0493
8	C5    -0.9480     0.0664     2.6854	C.3	1	noname	-0.0283
9	C6    -1.0056     0.1985     4.2086	C.3	1	noname	0.0912
10	N2    -0.6686    -1.0850     4.8222	N.3	1	noname	-0.3194
11	C7    -2.3522     0.5924     4.6123	C.2	1	noname	0.1437
12	O3    -2.5305     1.6617     5.2347	O.2	1	noname	-0.2496
13	O4    -3.4049    -0.1983     4.3135	O.3	1	noname	-0.2140
14	H1    -2.8166     1.0875    -1.5570	H	1	noname	0.2213
15	H2    -0.9052     3.4095     0.1766	H	1	noname	0.0571
16	H3    -3.1644     3.9908     0.4219	H	1	noname	0.1191
17	H4    -3.6555     2.3118     0.4219	H	1	noname	0.1191
18	H5    -2.0279     0.5768     0.2351	H	1	noname	0.0288
19	H6    -0.2051     1.0679     0.2614	H	1	noname	0.0288
20	H7    -0.5158     2.1103     2.3282	H	1	noname	0.0268
21	H8    -2.3385     1.6192     2.3019	H	1	noname	0.0268
22	H9    -1.7328    -0.6343     2.4004	H	1	noname	0.0288
23	H10     0.0899    -0.1432     2.4267	H	1	noname	0.0288
24	H11    -0.3069     0.9484     4.5797	H	1	noname	0.0571
25	H12    -1.3982    -1.7504     5.0341	H	1	noname	0.1191
26	H13     0.2938    -1.3062     5.0341	H	1	noname	0.1191
27	H14    -3.8145    -0.5060     5.1254	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	9	11	1
11	11	12	2
12	11	13	1
13	3	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	7	20	1
20	7	21	1
21	8	22	1
22	8	23	1
23	9	24	1
24	10	25	1
25	10	26	1
26	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1