@<TRIPOS>MOLECULE
DB07069
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4942    -1.0033     0.5200	O.2	1	noname	-0.2955
2	C1    -1.0416    -1.6243    -0.4659	C.2	1	noname	0.0152
3	N1     0.0105    -2.4409    -0.3179	N.3	1	noname	-0.0708
4	C2    -1.6296    -1.4677    -1.7156	C.2	1	noname	-0.0027
5	C3     0.9787    -2.1712     0.6710	C.3	1	noname	0.0891
6	C4    -1.1262    -2.1583    -2.8119	C.2	1	noname	0.0090
7	C5    -2.7209    -0.6206    -1.8691	C.2	1	noname	-0.0306
8	C6     2.0151    -3.1988     0.6304	C.2	1	noname	0.1423
9	C7    -1.7142    -2.0017    -4.0617	C.2	1	noname	0.0128
10	C8    -3.3089    -0.4641    -3.1188	C.2	1	noname	-0.0375
11	O2     3.2026    -2.8801     0.4054	O.2	1	noname	-0.2506
12	O3     1.6908    -4.4930     0.8358	O.3	1	noname	-0.2148
13	O4    -1.2253    -2.6724    -5.1264	O.3	1	noname	-0.2849
14	C9    -2.8055    -1.1546    -4.2151	C.2	1	noname	-0.0167
15	H1     0.0720    -3.2380    -0.9351	H	1	noname	0.1319
16	H2     1.4452    -1.2271     0.3897	H	1	noname	0.0541
17	H3     0.4674    -2.2623     1.6293	H	1	noname	0.0541
18	H4    -0.2704    -2.8225    -2.6916	H	1	noname	0.0658
19	H5    -3.1156    -0.0791    -1.0094	H	1	noname	0.0630
20	H6    -4.1646     0.2002    -3.2392	H	1	noname	0.0623
21	H7     1.6474    -4.6662     1.7791	H	1	noname	0.2213
22	H8    -1.2970    -3.6169    -4.9702	H	1	noname	0.2181
23	H9    -3.2666    -1.0319    -5.1952	H	1	noname	0.0650
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	6	9	1
9	7	10	2
10	8	11	2
11	8	12	1
12	9	13	1
13	9	14	2
14	10	14	1
15	3	15	1
16	5	16	1
17	5	17	1
18	6	18	1
19	7	19	1
20	10	20	1
21	12	21	1
22	13	22	1
23	14	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1