@<TRIPOS>MOLECULE
DB02525
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.2792    -1.2609     1.0928	O.3	1	noname	-0.3291
2	N1    -0.0141    -2.0446     0.0979	N.3	1	noname	-0.0225
3	C1    -0.3215    -1.3224    -0.9510	C.2	1	noname	-0.0116
4	N2     0.2444    -0.1607    -1.0688	N.2	1	noname	-0.2379
5	C2    -1.2741    -1.8816    -1.9013	C.3	1	noname	0.1363
6	C3     0.0505     0.7957    -2.0935	C.3	1	noname	0.1032
7	O2    -0.9827    -3.2555    -2.1108	O.3	1	noname	-0.3827
8	C4    -1.2423    -1.1330    -3.2603	C.3	1	noname	0.1148
9	C5    -1.1104     0.4039    -3.0665	C.3	1	noname	0.1075
10	C6    -0.2468     2.1600    -1.4682	C.3	1	noname	0.0683
11	O3    -2.4292    -1.4184    -3.9858	O.3	1	noname	-0.3870
12	O4    -2.3361     0.9260    -2.5753	O.3	1	noname	-0.3879
13	O5     0.8464     2.5552    -0.6527	O.3	1	noname	-0.3939
14	H1     0.5057    -1.7901     1.8610	H	1	noname	0.2379
15	H2    -0.0047    -3.0539     0.1341	H	1	noname	0.1624
16	H3    -2.2540    -1.8309    -1.4266	H	1	noname	0.0708
17	H4     1.0113     0.7833    -2.6081	H	1	noname	0.0604
18	H5    -0.8893    -3.6957    -1.2628	H	1	noname	0.2111
19	H6    -0.4285    -1.5097    -3.8799	H	1	noname	0.0660
20	H7    -0.9601     0.8793    -4.0357	H	1	noname	0.0652
21	H8    -0.2922     2.8965    -2.2705	H	1	noname	0.0587
22	H9    -1.0900     2.0430    -0.7875	H	1	noname	0.0587
23	H10    -3.1462    -1.5909    -3.3712	H	1	noname	0.2107
24	H11    -2.3244     0.9210    -1.6154	H	1	noname	0.2106
25	H12     0.6039     2.4675     0.2721	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	2
4	3	5	1
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	1
9	6	10	1
10	8	11	1
11	8	9	1
12	9	12	1
13	10	13	1
14	1	14	1
15	2	15	1
16	5	16	1
17	6	17	1
18	7	18	1
19	8	19	1
20	9	20	1
21	10	21	1
22	10	22	1
23	11	23	1
24	12	24	1
25	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1