@<TRIPOS>MOLECULE
DB01509
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4489     2.2306    -0.8546	O.3	1	noname	-0.2452
2	C1    -0.5533     1.8298     0.4219	C.2	1	noname	0.0291
3	C2     0.1161     1.0489    -1.4561	C.3	1	noname	0.1587
4	C3     0.1058     0.6119     0.6409	C.2	1	noname	0.0232
5	C4    -1.2136     2.5257     1.4687	C.2	1	noname	-0.0200
6	O2     0.6686     0.1405    -0.4828	O.3	1	noname	-0.2463
7	C5     0.1596     0.0085     1.9249	C.2	1	noname	-0.0195
8	C6    -1.1463     1.9485     2.7772	C.2	1	noname	-0.0556
9	C7    -0.4695     0.7112     3.0018	C.2	1	noname	-0.0618
10	C8    -1.7792     2.6356     3.8992	C.3	1	noname	0.0146
11	C9    -0.7741     3.5921     4.5441	C.3	1	noname	0.0052
12	N1    -1.4079     4.2801     5.6677	N.3	1	noname	-0.3276
13	C10     0.4339     2.7994     5.0473	C.3	1	noname	-0.0497
14	H1    -0.7148     0.5213    -1.9243	H	1	noname	0.0892
15	H2     0.9557     1.3901    -2.0617	H	1	noname	0.0892
16	H3    -1.7462     3.4573     1.2773	H	1	noname	0.0654
17	H4     0.6597    -0.9480     2.0767	H	1	noname	0.0651
18	H5    -0.4326     0.2972     4.0095	H	1	noname	0.0626
19	H6    -2.5785     3.2390     3.4689	H	1	noname	0.0331
20	H7    -2.0136     1.8622     4.6307	H	1	noname	0.0331
21	H8    -0.4628     4.3589     3.8346	H	1	noname	0.0462
22	H9    -0.8650     4.5178     6.4855	H	1	noname	0.1186
23	H10    -2.3887     4.5178     5.6260	H	1	noname	0.1186
24	H11     0.4382     2.7965     6.1373	H	1	noname	0.0246
25	H12     0.3737     1.7743     4.6815	H	1	noname	0.0246
26	H13     1.3503     3.2624     4.6815	H	1	noname	0.0246
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	4	7	1
7	4	6	1
8	5	8	2
9	7	9	2
10	8	10	1
11	8	9	1
12	10	11	1
13	11	12	1
14	11	13	1
15	3	14	1
16	3	15	1
17	5	16	1
18	7	17	1
19	9	18	1
20	10	19	1
21	10	20	1
22	11	21	1
23	12	22	1
24	12	23	1
25	13	24	1
26	13	25	1
27	13	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1