@<TRIPOS>MOLECULE
DB02091
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.7554    -0.0344    -0.0000	S.3	1	noname	-0.2045
2	C1    -0.0107     0.0130    -0.0000	C.2	1	noname	0.0390
3	C2     2.0934     1.6912     0.0000	C.2	1	noname	0.0710
4	C3    -0.9385    -1.0670    -0.0000	C.2	1	noname	0.0341
5	C4    -0.2423     1.4011     0.0000	C.2	1	noname	0.0475
6	N1     0.8488     2.2247     0.0000	N.2	1	noname	-0.2238
7	C5     3.3842     2.3734     0.0000	C.3	1	noname	0.0579
8	N2    -2.2999    -0.8123    -0.0000	N.2	1	noname	-0.2203
9	C6    -0.4393    -2.4049    -0.0000	C.2	1	noname	-0.0141
10	C7    -1.5985     1.9419     0.0000	C.3	1	noname	0.0432
11	C8    -3.2473    -1.8034    -0.0000	C.2	1	noname	0.0873
12	C9    -1.4277    -3.4190    -0.0000	C.2	1	noname	0.0139
13	N3    -2.7590    -3.0857    -0.0000	N.2	1	noname	-0.2362
14	N4    -4.5607    -1.5378    -0.0000	N.3	1	noname	-0.0797
15	H1     3.7054     2.5432     1.0277	H	1	noname	0.0304
16	H2     4.1213     1.7564    -0.5138	H	1	noname	0.0304
17	H3     3.2895     3.3301    -0.5138	H	1	noname	0.0304
18	H4     0.6258    -2.6368    -0.0000	H	1	noname	0.0662
19	H5    -1.9360     2.0764     1.0277	H	1	noname	0.0296
20	H6    -1.6064     2.9031    -0.5138	H	1	noname	0.0296
21	H7    -2.2656     1.2497    -0.5138	H	1	noname	0.0296
22	H8    -1.1589    -4.4753    -0.0000	H	1	noname	0.0841
23	H9    -4.8823    -0.5804     0.0000	H	1	noname	0.1273
24	H10    -5.2291    -2.2951     0.0000	H	1	noname	0.1273
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	7	1
7	4	8	2
8	4	9	1
9	5	10	1
10	5	6	1
11	8	11	1
12	9	12	2
13	11	13	2
14	11	14	1
15	12	13	1
16	7	15	1
17	7	16	1
18	7	17	1
19	9	18	1
20	10	19	1
21	10	20	1
22	10	21	1
23	12	22	1
24	14	23	1
25	14	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1