@<TRIPOS>MOLECULE
DB03128
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.3450    -1.1691     0.0000	O.2	1	noname	-0.2549
2	C1     2.0950    -1.1691     0.0000	C.2	1	noname	0.1401
3	O2     1.4200     0.0000     0.0000	O.3	1	noname	-0.2032
4	C2     1.3650    -2.4335     0.0000	C.3	1	noname	0.0220
5	C3     0.0000     0.0000     0.0000	C.3	1	noname	0.1043
6	C4    -0.5100     1.4425     0.0000	C.3	1	noname	0.0143
7	N1    -1.9720     1.4425     0.0000	N.4	1	noname	0.0079
8	C5    -2.4593     2.8209     0.0000	C.3	1	noname	-0.0214
9	C6    -2.4593     0.7533    -1.1937	C.3	1	noname	-0.0214
10	C7    -2.4593     0.7533     1.1937	C.3	1	noname	-0.0214
11	H1     1.1833    -2.7482     1.0277	H	1	noname	0.0336
12	H2     0.4126    -2.3032    -0.5138	H	1	noname	0.0336
13	H3     1.9541    -3.1932    -0.5138	H	1	noname	0.0336
14	H4    -0.2908    -0.4609    -0.9440	H	1	noname	0.0641
15	H5    -0.2908    -0.4609     0.9440	H	1	noname	0.0641
16	H6    -0.2098     1.8974     0.9440	H	1	noname	0.0965
17	H7    -0.2098     1.8974    -0.9440	H	1	noname	0.0965
18	H8    -2.5804     3.1634     1.0277	H	1	noname	0.0902
19	H9    -1.7414     3.4601    -0.5138	H	1	noname	0.0902
20	H10    -3.4195     2.8668    -0.5138	H	1	noname	0.0902
21	H11    -2.3973    -0.3243    -1.0419	H	1	noname	0.0902
22	H12    -3.4960     1.0352    -1.3783	H	1	noname	0.0902
23	H13    -1.8480     1.0352    -2.0510	H	1	noname	0.0902
24	H14    -2.3973    -0.3243     1.0419	H	1	noname	0.0902
25	H15    -1.8480     1.0352     2.0510	H	1	noname	0.0902
26	H16    -3.4960     1.0352     1.3783	H	1	noname	0.0902
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	7	9	1
9	7	10	1
10	4	11	1
11	4	12	1
12	4	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	6	17	1
17	8	18	1
18	8	19	1
19	8	20	1
20	9	21	1
21	9	22	1
22	9	23	1
23	10	24	1
24	10	25	1
25	10	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1