@<TRIPOS>MOLECULE
DB01031
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2851    -1.5596     3.2557	O.2	1	noname	-0.2536
2	C1     0.0263    -0.8003     2.3129	C.2	1	noname	0.0476
3	O2    -0.4643    -1.0245     1.0753	O.3	1	noname	-0.1883
4	N1     0.8472     0.2362     2.5305	N.3	1	noname	-0.0474
5	C2    -0.1105    -0.1619     0.0043	C.3	1	noname	0.1390
6	C3    -0.7473    -0.6303    -1.1049	C.1	1	noname	-0.0867
7	C4     1.4340    -0.2518    -0.2509	C.3	1	noname	-0.0117
8	C5    -0.7246     1.2607     0.2536	C.3	1	noname	-0.0117
9	C6    -1.3055    -1.0410    -2.0772	C.1	1	noname	-0.1010
10	C7     2.0900     1.0643    -0.7659	C.3	1	noname	-0.0496
11	C8     0.2946     2.3347     0.7454	C.3	1	noname	-0.0496
12	C9     1.6575     2.3711    -0.0206	C.3	1	noname	-0.0530
13	H1     1.8422     0.0839     2.6126	H	1	noname	0.1296
14	H2     0.4708     1.1699     2.6126	H	1	noname	0.1296
15	H3     1.8843    -0.4396     0.7238	H	1	noname	0.0306
16	H4     1.5590    -0.9743    -1.0573	H	1	noname	0.0306
17	H5    -1.0688     1.6093    -0.7201	H	1	noname	0.0306
18	H6    -1.4354     1.1372     1.0707	H	1	noname	0.0306
19	H7    -1.2994    -2.1309    -2.0665	H	1	noname	0.1238
20	H8     3.1558     0.9531    -0.5663	H	1	noname	0.0268
21	H9     1.7366     1.1816    -1.7903	H	1	noname	0.0268
22	H10    -0.1782     3.2961     0.5451	H	1	noname	0.0268
23	H11     0.5425     2.0519     1.7684	H	1	noname	0.0268
24	H12     2.4130     2.5227     0.7504	H	1	noname	0.0266
25	H13     1.5228     3.1154    -0.8054	H	1	noname	0.0266
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	5	6	1
6	5	7	1
7	5	8	1
8	6	9	3
9	7	10	1
10	8	11	1
11	10	12	1
12	11	12	1
13	4	13	1
14	4	14	1
15	7	15	1
16	7	16	1
17	8	17	1
18	8	18	1
19	9	19	1
20	10	20	1
21	10	21	1
22	11	22	1
23	11	23	1
24	12	24	1
25	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1