@<TRIPOS>MOLECULE
DB03682
27 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8667    -2.5248     4.6386	O.2	1	noname	-0.2565
2	C1     2.0932    -1.7436     3.6895	C.2	1	noname	0.0990
3	O2     3.3203    -1.7011     3.1284	O.3	1	noname	-0.2170
4	C2     1.0816    -0.9186     3.2118	C.2	1	noname	0.0501
5	C3     1.3006    -0.0194     2.1368	C.2	1	noname	0.0793
6	C4    -0.2311    -0.9352     3.7805	C.2	1	noname	0.0081
7	O3     2.4329     0.1778     1.4063	O.3	1	noname	-0.3298
8	C5     0.2630     0.8291     1.6581	C.2	1	noname	0.0341
9	C6    -1.2755    -0.0951     3.2741	C.2	1	noname	-0.0277
10	C7     2.1564     1.1615     0.4916	C.2	1	noname	0.0793
11	C8     0.7882     1.5417     0.5923	C.2	1	noname	0.0341
12	C9    -1.0573     0.8071     2.2008	C.2	1	noname	-0.0145
13	C10     3.0254     1.7523    -0.4721	C.2	1	noname	0.0501
14	C11     0.1845     2.4728    -0.3123	C.2	1	noname	-0.0145
15	C12     4.3673     1.4002    -0.5584	C.2	1	noname	0.0990
16	C13     2.4481     2.7222    -1.3425	C.2	1	noname	0.0081
17	C14     1.0478     3.0566    -1.2775	C.2	1	noname	-0.0277
18	O4     4.9833     1.0298     0.4642	O.2	1	noname	-0.2565
19	O5     5.0053     1.4584    -1.7467	O.3	1	noname	-0.2170
20	H1     3.9872    -1.6780     3.8186	H	1	noname	0.2216
21	H2    -0.4399    -1.6019     4.6172	H	1	noname	0.0632
22	H3    -2.2688    -0.1441     3.7202	H	1	noname	0.0623
23	H4    -1.8545     1.4438     1.8171	H	1	noname	0.0630
24	H5    -0.8753     2.7237    -0.2684	H	1	noname	0.0630
25	H6     3.0894     3.2174    -2.0716	H	1	noname	0.0632
26	H7     0.6279     3.7750    -1.9815	H	1	noname	0.0623
27	H8     5.1749     0.5679    -2.0628	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	2
9	7	10	1
10	8	11	1
11	8	12	2
12	9	12	1
13	10	13	1
14	10	11	2
15	11	14	1
16	13	15	1
17	13	16	2
18	14	17	2
19	15	18	2
20	15	19	1
21	16	17	1
22	3	20	1
23	6	21	1
24	9	22	1
25	12	23	1
26	14	24	1
27	16	25	1
28	17	26	1
29	19	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1