@<TRIPOS>MOLECULE
DB02256
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.8369     0.0565    -1.6905	O.2	1	noname	-0.2799
2	C1     0.7792     0.7056    -0.6238	C.2	1	noname	0.0293
3	N1     0.2431     0.1508     0.5182	N.3	1	noname	0.0349
4	N2     1.2470     1.9918    -0.5522	N.3	1	noname	0.0787
5	C2     0.1658     0.8850     1.6970	C.2	1	noname	-0.0422
6	C3    -0.2561    -1.1955     0.3934	C.3	1	noname	0.1250
7	C4     1.1999     2.7321     0.6078	C.2	1	noname	0.0604
8	C5     0.6522     2.2135     1.8117	C.2	1	noname	0.0381
9	O2    -1.6366    -1.1674     0.0189	O.3	1	noname	-0.3538
10	C6    -0.1748    -2.1667     1.5937	C.3	1	noname	0.0167
11	O3     1.6533     3.8970     0.6015	O.2	1	noname	-0.2902
12	C7    -1.9665    -2.5558     0.0921	C.3	1	noname	0.1087
13	C8    -1.2994    -3.1601     1.3333	C.3	1	noname	0.0864
14	C9    -3.4844    -2.7143     0.2009	C.3	1	noname	0.0721
15	O4    -0.7461    -4.4258     1.0044	O.3	1	noname	-0.3900
16	O5    -4.1032    -2.1402    -0.9410	O.3	1	noname	-0.3934
17	H1     1.6404     2.4088    -1.3838	H	1	noname	0.1417
18	H2    -0.2918     0.4027     2.5608	H	1	noname	0.0759
19	H3     0.4115    -1.5319    -0.3998	H	1	noname	0.0788
20	H4     0.6090     2.7836     2.7397	H	1	noname	0.0685
21	H5     0.7687    -2.7088     1.5298	H	1	noname	0.0335
22	H6    -0.4244    -1.6120     2.4982	H	1	noname	0.0335
23	H7    -1.5916    -3.0062    -0.8270	H	1	noname	0.0655
24	H8    -1.9523    -3.3744     2.1794	H	1	noname	0.0629
25	H9    -3.7171    -3.7781     0.1538	H	1	noname	0.0591
26	H10    -3.8263    -2.1185     1.0472	H	1	noname	0.0591
27	H11    -0.5375    -4.9032     1.8108	H	1	noname	0.2105
28	H12    -4.4170    -2.8387    -1.5200	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	6	3	1
6	4	7	1
7	5	8	2
8	6	9	1
9	6	10	1
10	7	11	2
11	7	8	1
12	9	12	1
13	10	13	1
14	12	14	1
15	12	13	1
16	13	15	1
17	14	16	1
18	4	17	1
19	5	18	1
20	6	19	1
21	8	20	1
22	10	21	1
23	10	22	1
24	12	23	1
25	13	24	1
26	14	25	1
27	14	26	1
28	15	27	1
29	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1