@<TRIPOS>MOLECULE
DB03811
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.2746    -2.8098     0.4010	O.3	1	noname	-0.3892
2	C1    -3.0121    -1.6739    -0.4098	C.3	1	noname	0.0943
3	C2    -1.5042    -1.4195    -0.4583	C.3	1	noname	0.0266
4	N1    -0.8308    -2.5877    -1.0234	N.4	1	noname	-0.0053
5	C3    -1.2214    -0.1957    -1.3319	C.3	1	noname	0.0540
6	C4     0.2175     0.0471    -1.3783	C.2	1	noname	-0.0670
7	N2     1.0076     0.3047    -0.3269	N.3	1	noname	-0.0479
8	C5     1.0088     0.0519    -2.5199	C.2	1	noname	0.0096
9	C6     2.2591     0.4676    -0.7853	C.2	1	noname	-0.0561
10	N3     2.2617     0.3142    -2.1191	N.2	1	noname	-0.2443
11	H1    -3.2174    -2.5622     1.3268	H	1	noname	0.2103
12	H2    -3.3405    -1.9498    -1.4119	H	1	noname	0.0635
13	H3    -3.4798    -0.8347     0.1052	H	1	noname	0.0635
14	H4    -1.1056    -1.2758     0.5460	H	1	noname	0.1006
15	H5    -0.4920    -3.1756    -0.2752	H	1	noname	0.2557
16	H6    -1.4821    -3.1091    -1.5926	H	1	noname	0.2557
17	H7    -0.0532    -2.2855    -1.5926	H	1	noname	0.2557
18	H8    -1.5165    -0.4437    -2.3515	H	1	noname	0.0400
19	H9    -1.6558     0.6714    -0.8344	H	1	noname	0.0400
20	H10     0.7129     0.3651     0.6373	H	1	noname	0.1534
21	H11     0.7002    -0.1203    -3.5510	H	1	noname	0.0856
22	H12     3.1330     0.6890    -0.1727	H	1	noname	0.1013
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	3	5	1
5	5	6	1
6	6	7	1
7	6	8	2
8	7	9	1
9	8	10	1
10	9	10	2
11	1	11	1
12	2	12	1
13	2	13	1
14	3	14	1
15	4	15	1
16	4	16	1
17	4	17	1
18	5	18	1
19	5	19	1
20	7	20	1
21	8	21	1
22	9	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1