@<TRIPOS>MOLECULE
DB02160
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.0736     0.0750     0.4842	S.3	1	noname	-0.0299
2	C1     1.5170    -0.4188     0.0159	C.2	1	noname	0.1285
3	C2    -0.3051     1.8139     0.0809	C.3	1	noname	0.0256
4	O1     1.8874    -1.5971     0.2075	O.2	1	noname	-0.2831
5	C3     2.4266     0.5409    -0.6032	C.3	1	noname	0.0163
6	C4    -1.7118     2.2505     0.4950	C.3	1	noname	0.1008
7	C5     3.2423     1.2445     0.4833	C.3	1	noname	-0.0484
8	N1    -1.8998     3.6629     0.1675	N.3	1	noname	-0.3187
9	C6    -1.8775     2.0581     1.9328	C.2	1	noname	0.1441
10	C7     4.1955     2.2502    -0.1654	C.3	1	noname	-0.0649
11	O2    -2.7695     1.2951     2.3625	O.2	1	noname	-0.2493
12	O3    -1.0675     2.7042     2.7981	O.3	1	noname	-0.2138
13	H1     0.3517     2.4217     0.7032	H	1	noname	0.0406
14	H2    -0.3000     1.9395    -1.0018	H	1	noname	0.0406
15	H3     3.1189    -0.0476    -1.2053	H	1	noname	0.0355
16	H4     1.7937     1.2910    -1.0774	H	1	noname	0.0355
17	H5    -2.4843     1.6757    -0.0157	H	1	noname	0.0580
18	H6     2.5373     1.8206     1.0826	H	1	noname	0.0268
19	H7     3.8624     0.4820     0.9547	H	1	noname	0.0268
20	H8    -1.0978     4.2662     0.0544	H	1	noname	0.1192
21	H9    -2.8318     4.0353     0.0544	H	1	noname	0.1192
22	H10     4.7217     2.8052     0.6112	H	1	noname	0.0230
23	H11     4.9180     1.7186    -0.7848	H	1	noname	0.0230
24	H12     3.6261     2.9431    -0.7848	H	1	noname	0.0230
25	H13    -1.3290     2.4956     3.6979	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	9	11	2
11	9	12	1
12	3	13	1
13	3	14	1
14	5	15	1
15	5	16	1
16	6	17	1
17	7	18	1
18	7	19	1
19	8	20	1
20	8	21	1
21	10	22	1
22	10	23	1
23	10	24	1
24	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1