@<TRIPOS>MOLECULE
DB04572
23 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.1629    -1.5727    -2.0772	S.2	1	noname	-0.1072
2	P1    -0.2398     0.2107    -1.3702	P	1	noname	-0.2811
3	N1     0.9955     0.4518    -0.4118	N.3	1	noname	-0.0935
4	N2    -0.1951     1.2522    -2.5602	N.3	1	noname	-0.0935
5	N3    -1.5833     0.3977    -0.5560	N.3	1	noname	-0.0935
6	C1     0.9542    -0.5107     0.6880	C.3	1	noname	0.0212
7	C2     1.9072    -0.6881    -0.4958	C.3	1	noname	0.0212
8	C3    -0.2537     2.6102    -2.0218	C.3	1	noname	0.0212
9	C4    -1.4796     1.9446    -2.6503	C.3	1	noname	0.0212
10	C5    -2.6225    -0.4573    -1.1274	C.3	1	noname	0.0212
11	C6    -1.8933    -0.8370     0.1630	C.3	1	noname	0.0212
12	H1     1.4075    -0.1798     1.6224	H	1	noname	0.0451
13	H2     0.0859    -1.1693     0.7067	H	1	noname	0.0451
14	H3     1.6355    -1.4578    -1.2182	H	1	noname	0.0451
15	H4     2.9571    -0.4683    -0.3026	H	1	noname	0.0451
16	H5    -0.2553     2.6874    -0.9345	H	1	noname	0.0451
17	H6     0.2352     3.3776    -2.6219	H	1	noname	0.0451
18	H7    -1.7583     2.2953    -3.6440	H	1	noname	0.0451
19	H8    -2.2488     1.6051    -1.9566	H	1	noname	0.0451
20	H9    -3.6453    -0.0988    -1.0118	H	1	noname	0.0451
21	H10    -2.3377    -1.0142    -2.0200	H	1	noname	0.0451
22	H11    -1.1520    -1.6316     0.0782	H	1	noname	0.0451
23	H12    -2.4596    -0.7162     1.0865	H	1	noname	0.0451
@<TRIPOS>BOND
1	1	2	2
2	2	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	11	1
11	6	7	1
12	8	9	1
13	10	11	1
14	6	12	1
15	6	13	1
16	7	14	1
17	7	15	1
18	8	16	1
19	8	17	1
20	9	18	1
21	9	19	1
22	10	20	1
23	10	21	1
24	11	22	1
25	11	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1