@<TRIPOS>MOLECULE
DB04302
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.2249     0.4641    -0.5570	S.3	1	noname	-0.0172
2	C1     1.1227     0.3762     0.9079	C.2	1	noname	0.1119
3	C2     1.0505     0.0530    -1.9054	C.3	1	noname	0.0859
4	O1     1.3759     0.4504     2.1298	O.2	1	noname	-0.2814
5	C3    -0.1318     0.1941     0.2073	C.2	1	noname	0.0804
6	C4    -0.1510     0.0459    -1.1279	C.2	1	noname	0.0079
7	C5     1.3169    -1.2682    -2.3832	C.2	1	noname	-0.0581
8	C6     1.0488     1.0414    -3.0733	C.3	1	noname	-0.0402
9	C7    -1.3585     0.1717     0.9418	C.3	1	noname	-0.0330
10	O2    -1.3103    -0.1105    -1.7395	O.3	1	noname	-0.2866
11	C8     2.5089    -1.5628    -2.8943	C.2	1	noname	-0.0610
12	C9     2.7566    -2.7917    -3.3387	C.2	1	noname	-0.0725
13	C10     3.5241    -0.5583    -2.9661	C.3	1	noname	-0.0400
14	C11     2.1424    -3.8346    -2.7874	C.2	1	noname	-0.0868
15	H1     0.5872    -2.0776    -2.3569	H	1	noname	0.0597
16	H2     1.0475     0.4916    -4.0145	H	1	noname	0.0252
17	H3     0.1589     1.6683    -3.0174	H	1	noname	0.0252
18	H4     1.9389     1.6683    -3.0200	H	1	noname	0.0252
19	H5    -1.1424     0.1757     2.0102	H	1	noname	0.0282
20	H6    -1.9502     1.0511     0.6876	H	1	noname	0.0282
21	H7    -1.9179    -0.7286     0.6876	H	1	noname	0.0282
22	H8    -2.0069    -0.2045    -1.0857	H	1	noname	0.2178
23	H9     3.4631    -2.9440    -4.1547	H	1	noname	0.0619
24	H10     3.8188    -0.2668    -1.9580	H	1	noname	0.0279
25	H11     4.3897    -0.9539    -3.4976	H	1	noname	0.0279
26	H12     3.1378     0.3114    -3.4976	H	1	noname	0.0279
27	H13     1.0773    -3.7829    -2.5615	H	1	noname	0.0538
28	H14     2.7041    -4.7410    -2.5615	H	1	noname	0.0538
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	1
7	3	8	1
8	5	9	1
9	5	6	2
10	6	10	1
11	7	11	2
12	11	12	1
13	11	13	1
14	12	14	2
15	7	15	1
16	8	16	1
17	8	17	1
18	8	18	1
19	9	19	1
20	9	20	1
21	9	21	1
22	10	22	1
23	12	23	1
24	13	24	1
25	13	25	1
26	13	26	1
27	14	27	1
28	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1