@<TRIPOS>MOLECULE
DB02727
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.7846    -0.3486     0.0000	O.3	1	noname	-0.3253
2	N1     3.1346    -1.4745     0.0000	N.3	1	noname	-0.0274
3	C1     1.8467    -1.2351     0.0000	C.2	1	noname	-0.1021
4	N2     1.0181    -2.2042     0.0000	N.2	1	noname	-0.2601
5	N3     1.4100     0.0000     0.0000	N.3	1	noname	-0.1132
6	C2     0.0000     0.0000     0.0000	C.3	1	noname	0.0024
7	C3    -0.5100     1.4425     0.0000	C.3	1	noname	-0.0404
8	C4    -2.0400     1.4425     0.0000	C.3	1	noname	-0.0549
9	C5    -2.5500     2.8850     0.0000	C.3	1	noname	-0.0653
10	H1     3.9446    -0.0715     0.9051	H	1	noname	0.2380
11	H2     3.5622    -2.3895     0.0000	H	1	noname	0.1637
12	H3     0.7994    -2.4601     0.9522	H	1	noname	0.1899
13	H4     2.0352     0.7933     0.0000	H	1	noname	0.1306
14	H5    -0.2885    -0.4624    -0.9440	H	1	noname	0.0432
15	H6    -0.2885    -0.4624     0.9440	H	1	noname	0.0432
16	H7    -0.1953     1.8875     0.9440	H	1	noname	0.0279
17	H8    -0.1953     1.8875    -0.9440	H	1	noname	0.0279
18	H9    -2.3547     0.9975    -0.9440	H	1	noname	0.0264
19	H10    -2.3547     0.9975     0.9440	H	1	noname	0.0264
20	H11    -2.6711     3.2275     1.0277	H	1	noname	0.0230
21	H12    -1.8320     3.5242    -0.5138	H	1	noname	0.0230
22	H13    -3.5102     2.9309    -0.5138	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	2
4	3	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	1	10	1
10	2	11	1
11	4	12	1
12	5	13	1
13	6	14	1
14	6	15	1
15	7	16	1
16	7	17	1
17	8	18	1
18	8	19	1
19	9	20	1
20	9	21	1
21	9	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1