@<TRIPOS>MOLECULE
DB02299
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.3914    -0.7559     0.0109	O.2	1	noname	-0.2926
2	C1     3.3188    -1.3001     0.3513	C.2	1	noname	0.0410
3	N1     3.2777    -2.0743     1.4443	N.3	1	noname	-0.0854
4	C2     2.1108    -1.0923    -0.4420	C.3	1	noname	0.0787
5	N2     1.6266    -2.3793    -0.9387	N.3	1	noname	-0.3203
6	C3     1.0335    -0.4441     0.4298	C.3	1	noname	-0.0282
7	C4    -0.2324    -0.2263    -0.4015	C.3	1	noname	-0.0381
8	C5    -1.3098     0.4219     0.4703	C.3	1	noname	0.0061
9	N3    -2.4764     0.6226    -0.2958	N.3	1	noname	-0.0879
10	C6    -3.3988     1.1777     0.4506	C.2	1	noname	-0.0597
11	N4    -4.5418     1.4491    -0.0449	N.2	1	noname	0.1626
12	N5    -3.1469     1.4539     1.7061	N.3	1	noname	-0.0968
13	H1     4.1362    -2.3660     1.8891	H	1	noname	0.1271
14	H2     2.3881    -2.3660     1.8233	H	1	noname	0.1271
15	H3     2.3703    -0.4712    -1.2992	H	1	noname	0.0559
16	H4     0.6407    -2.5158    -1.1103	H	1	noname	0.1191
17	H5     2.2780    -3.1318    -1.1103	H	1	noname	0.1191
18	H6     0.7799    -1.1663     1.2058	H	1	noname	0.0288
19	H7     1.4033     0.5438     0.7045	H	1	noname	0.0288
20	H8     0.0211     0.4960    -1.1775	H	1	noname	0.0280
21	H9    -0.6022    -1.2142    -0.6762	H	1	noname	0.0280
22	H10    -1.5929    -0.2897     1.2459	H	1	noname	0.0434
23	H11    -0.9695     1.4205     0.7446	H	1	noname	0.0434
24	H12    -2.6332     0.3950    -1.2673	H	1	noname	0.1346
25	H13    -4.7924     2.4076    -0.2412	H	1	noname	0.2878
26	H14    -5.1966     0.7055    -0.2412	H	1	noname	0.2878
27	H15    -2.1922     1.5603     2.0181	H	1	noname	0.1308
28	H16    -3.9074     1.5603     2.3622	H	1	noname	0.1308
@<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	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	11	25	1
25	11	26	1
26	12	27	1
27	12	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1