@<TRIPOS>MOLECULE
DB04568
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7941    -1.0781     0.0550	O.3	1	noname	-0.3484
2	C1    -0.3901    -1.0753     0.2656	C.3	1	noname	0.1585
3	C2    -2.1015    -2.4618     0.1866	C.3	1	noname	0.1117
4	N1     0.1104     0.2545     0.3421	N.3	1	noname	-0.0355
5	C3    -0.1548    -1.9502     1.5026	C.3	1	noname	0.1258
6	C4    -1.2244    -3.0244     1.3087	C.3	1	noname	0.1126
7	C5    -3.5759    -2.6233     0.5620	C.3	1	noname	0.0722
8	C6     1.0031     0.7539    -0.5302	C.2	1	noname	-0.0347
9	C7    -0.2619     1.2129     1.2118	C.2	1	noname	-0.0825
10	O2     1.1325    -2.5444     1.4242	O.3	1	noname	-0.3857
11	O3    -0.6119    -4.2288     0.8721	O.3	1	noname	-0.3873
12	O4    -4.3881    -2.0524    -0.4533	O.3	1	noname	-0.3934
13	N2     1.5875     0.1121    -1.5511	N.3	1	noname	-0.1320
14	C8     1.1921     2.0819    -0.1471	C.2	1	noname	-0.0063
15	N3     0.4115     2.3293     0.9140	N.2	1	noname	-0.2485
16	H1     0.1430    -1.4358    -0.6141	H	1	noname	0.0853
17	H2    -1.8968    -2.9273    -0.7776	H	1	noname	0.0656
18	H3    -0.1436    -1.4429     2.4673	H	1	noname	0.0674
19	H4    -1.7585    -3.3114     2.2145	H	1	noname	0.0657
20	H5    -3.8107    -3.6877     0.5581	H	1	noname	0.0591
21	H6    -3.7642    -2.0269     1.4547	H	1	noname	0.0591
22	H7    -0.9855     1.1036     2.0197	H	1	noname	0.1016
23	H8     1.4680    -2.6992     2.3102	H	1	noname	0.2107
24	H9    -0.3477    -4.7483     1.6350	H	1	noname	0.2106
25	H10    -4.7985    -2.7525    -0.9662	H	1	noname	0.2101
26	H11     1.0487    -0.1297    -2.3704	H	1	noname	0.1255
27	H12     2.5669    -0.1297    -1.5013	H	1	noname	0.1255
28	H13     1.8516     2.8170    -0.6083	H	1	noname	0.0871
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	1
10	5	6	1
11	6	11	1
12	7	12	1
13	8	13	1
14	8	14	2
15	9	15	2
16	14	15	1
17	2	16	1
18	3	17	1
19	5	18	1
20	6	19	1
21	7	20	1
22	7	21	1
23	9	22	1
24	10	23	1
25	11	24	1
26	12	25	1
27	13	26	1
28	13	27	1
29	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1