@<TRIPOS>MOLECULE
DB03000
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.4829    -1.4740     0.5400	O.3	1	noname	-0.3916
2	C1     3.4722    -0.5235     0.2379	C.3	1	noname	0.0674
3	C2     2.1961    -1.2533    -0.1862	C.3	1	noname	-0.0262
4	C3     3.9460     0.3800    -0.9023	C.3	1	noname	-0.0374
5	N1     1.1924    -0.3094    -0.4861	N.3	1	noname	0.0141
6	C4     0.2899     0.2073     0.3708	C.2	1	noname	0.1222
7	C5     0.9472     0.2534    -1.6869	C.2	1	noname	-0.0434
8	N2     0.1046    -0.0252     1.7059	N.2	1	noname	-0.2466
9	C6    -0.4737     1.1378    -0.3429	C.2	1	noname	0.0222
10	N3    -0.0874     1.1214    -1.6226	N.2	1	noname	-0.2195
11	C7    -0.8530     0.6883     2.3835	C.2	1	noname	0.0498
12	C8    -1.4412     1.8959     0.3562	C.2	1	noname	0.0722
13	N4    -1.5822     1.6397     1.6964	N.2	1	noname	-0.2594
14	N5    -2.1862     2.8222    -0.2622	N.3	1	noname	-0.1031
15	H1     4.5705    -1.5563     1.4924	H	1	noname	0.2104
16	H2     3.3203     0.0423     1.1572	H	1	noname	0.0613
17	H3     2.3962    -1.7698    -1.1250	H	1	noname	0.0500
18	H4     1.8214    -1.8097     0.6729	H	1	noname	0.0500
19	H5     4.2913    -0.2349    -1.7335	H	1	noname	0.0257
20	H6     3.1202     1.0092    -1.2345	H	1	noname	0.0257
21	H7     4.7639     1.0092    -0.5515	H	1	noname	0.0257
22	H8     1.5126     0.0349    -2.5928	H	1	noname	0.1016
23	H9    -1.0303     0.5036     3.4430	H	1	noname	0.1062
24	H10    -1.7854     3.7195    -0.4953	H	1	noname	0.1258
25	H11    -3.1486     2.6231    -0.4953	H	1	noname	0.1258
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	5	6	1
6	5	7	1
7	6	8	2
8	6	9	1
9	7	10	2
10	8	11	1
11	9	12	2
12	9	10	1
13	11	13	2
14	12	14	1
15	12	13	1
16	1	15	1
17	2	16	1
18	3	17	1
19	3	18	1
20	4	19	1
21	4	20	1
22	4	21	1
23	7	22	1
24	11	23	1
25	14	24	1
26	14	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1