@<TRIPOS>MOLECULE
DB07292
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.9232     1.5723     0.0000	S.3	1	noname	-0.2243
2	C1     0.3810     2.4251     0.0000	C.2	1	noname	0.0918
3	C2     1.4513    -0.1351    -0.0000	C.2	1	noname	0.0074
4	N1    -0.4151     1.3279     0.0000	N.2	1	noname	-0.2243
5	N2     0.0899     3.7331     0.0000	N.3	1	noname	-0.0909
6	C3     0.0657     0.0458    -0.0000	C.2	1	noname	0.0430
7	C4    -0.7984    -1.0430    -0.0000	C.2	1	noname	-0.0415
8	C5    -2.1734    -0.8390    -0.0000	C.2	1	noname	-0.0215
9	C6    -0.2876    -2.3357    -0.0000	C.2	1	noname	-0.0215
10	C7    -3.0375    -1.9277    -0.0000	C.2	1	noname	-0.0234
11	C8    -1.1518    -3.4245    -0.0000	C.2	1	noname	-0.0234
12	C9    -2.5267    -3.2204    -0.0000	C.2	1	noname	0.0099
13	O1    -3.3660    -4.2779    -0.0000	O.3	1	noname	-0.2849
14	H1     1.9260    -1.1163    -0.0000	H	1	noname	0.0763
15	H2     0.8339     4.4161     0.0000	H	1	noname	0.1266
16	H3    -0.8737     4.0360     0.0000	H	1	noname	0.1266
17	H4    -2.5739     0.1748    -0.0000	H	1	noname	0.0630
18	H5     0.7906    -2.4957    -0.0000	H	1	noname	0.0630
19	H6    -4.1157    -1.7677    -0.0000	H	1	noname	0.0650
20	H7    -0.7512    -4.4382    -0.0000	H	1	noname	0.0650
21	H8    -3.5650    -4.5285     0.9051	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	4	6	1
7	6	7	1
8	7	8	2
9	7	9	1
10	8	10	1
11	9	11	2
12	10	12	2
13	11	12	1
14	12	13	1
15	3	14	1
16	5	15	1
17	5	16	1
18	8	17	1
19	9	18	1
20	10	19	1
21	11	20	1
22	13	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1