@<TRIPOS>MOLECULE
DB02044
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -3.7914    -1.7799     1.1260	N.2	1	noname	-0.2825
2	C1    -2.6429    -1.9153     0.5893	C.2	1	noname	-0.0818
3	N2    -1.9033    -0.8609     0.3498	N.3	1	noname	-0.1324
4	C2    -2.1619    -3.2182     0.2487	C.3	1	noname	-0.0124
5	C3    -0.6885    -1.2634    -0.2420	C.3	1	noname	0.0262
6	C4     0.1358    -0.0882    -0.5088	C.2	1	noname	-0.0459
7	C5     1.0261     0.3697     0.4554	C.2	1	noname	-0.0442
8	C6     0.0301     0.5727    -1.7271	C.2	1	noname	-0.0522
9	C7     1.8108     1.4886     0.2013	C.2	1	noname	-0.0461
10	C8     0.8148     1.6915    -1.9812	C.2	1	noname	-0.0567
11	C9     1.7052     2.1495    -1.0170	C.2	1	noname	-0.0524
12	C10     2.7460     1.9696     1.2141	C.3	1	noname	0.0179
13	N3     4.0426     1.3205     1.0275	N.3	1	noname	-0.3265
14	H1    -3.6966    -1.7910     2.1315	H	1	noname	0.1884
15	H2    -2.2086     0.0749     0.5761	H	1	noname	0.1296
16	H3    -1.9550    -3.7789     1.1602	H	1	noname	0.0306
17	H4    -2.9171    -3.7426    -0.3369	H	1	noname	0.0306
18	H5    -1.2472    -3.1263    -0.3369	H	1	noname	0.0306
19	H6    -0.1695    -1.8617     0.5069	H	1	noname	0.0482
20	H7    -0.9505    -1.7026    -1.2045	H	1	noname	0.0482
21	H8     1.1089    -0.1485     1.4107	H	1	noname	0.0629
22	H9    -0.6680     0.2136    -2.4832	H	1	noname	0.0626
23	H10     0.7320     2.2097    -2.9365	H	1	noname	0.0622
24	H11     2.3205     3.0268    -1.2162	H	1	noname	0.0626
25	H12     2.8954     3.0325     1.0242	H	1	noname	0.0476
26	H13     2.3629     1.6369     2.1788	H	1	noname	0.0476
27	H14     4.0990     0.3142     0.9631	H	1	noname	0.1187
28	H15     4.8821     1.8785     0.9631	H	1	noname	0.1187
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	5	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	8	10	2
10	9	11	2
11	9	12	1
12	10	11	1
13	12	13	1
14	1	14	1
15	3	15	1
16	4	16	1
17	4	17	1
18	4	18	1
19	5	19	1
20	5	20	1
21	7	21	1
22	8	22	1
23	10	23	1
24	11	24	1
25	12	25	1
26	12	26	1
27	13	27	1
28	13	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1