@<TRIPOS>MOLECULE
DB04451
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1243     1.5157     2.1074	O.2	1	noname	-0.2533
2	C1     1.0291     1.7823     1.5670	C.2	1	noname	0.0474
3	O2     0.1894     2.6678     2.1442	O.3	1	noname	-0.2116
4	N1     0.6885     1.1890     0.4148	N.3	1	noname	-0.0280
5	C2    -0.5870     1.4345    -0.3090	C.3	1	noname	0.0209
6	C3     1.5382     0.2014    -0.3024	C.3	1	noname	0.0209
7	C4    -1.4242     0.1226    -0.3719	C.3	1	noname	0.0113
8	C5     0.8155    -1.1767    -0.3648	C.3	1	noname	0.0113
9	N2    -0.5965    -1.0329    -0.8507	N.3	1	noname	-0.3037
10	C6    -1.3214    -2.2811    -0.6182	C.3	1	noname	-0.0132
11	H1     0.2567     2.5969     3.0993	H	1	noname	0.2227
12	H2    -1.1421     2.1482     0.2997	H	1	noname	0.0449
13	H3    -0.3051     1.6922    -1.3299	H	1	noname	0.0449
14	H4     1.6266     0.5710    -1.3240	H	1	noname	0.0449
15	H5     2.4305     0.0755     0.3108	H	1	noname	0.0449
16	H6    -1.7097    -0.1234     0.6508	H	1	noname	0.0443
17	H7    -2.1919     0.2698    -1.1317	H	1	noname	0.0443
18	H8     1.3281    -1.7721    -1.1204	H	1	noname	0.0443
19	H9     0.7390    -1.5437     0.6587	H	1	noname	0.0443
20	H10    -1.4194    -2.4499     0.4542	H	1	noname	0.0394
21	H11    -2.3122    -2.2150    -1.0677	H	1	noname	0.0394
22	H12    -0.7730    -3.1089    -1.0677	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	8	9	1
10	9	10	1
11	3	11	1
12	5	12	1
13	5	13	1
14	6	14	1
15	6	15	1
16	7	16	1
17	7	17	1
18	8	18	1
19	8	19	1
20	10	20	1
21	10	21	1
22	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1