@<TRIPOS>MOLECULE
DB04449
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.4278     1.4207     0.5446	O.3	1	noname	-0.2655
2	C1     2.0950     1.3631     0.3382	C.2	1	noname	0.0336
3	C2     4.0934     1.5752    -0.7002	C.3	1	noname	0.0424
4	C3     1.4778     0.1369     0.1203	C.2	1	noname	0.0449
5	C4     1.3398     2.5301     0.3435	C.2	1	noname	-0.0260
6	O2     2.2112    -0.9965     0.1151	O.3	1	noname	-0.2669
7	C5     0.1054     0.0776    -0.0923	C.2	1	noname	0.0326
8	C6    -0.0326     2.4708     0.1309	C.2	1	noname	-0.0399
9	O3    -0.4941    -1.1133    -0.3039	O.3	1	noname	-0.2741
10	C7    -0.6498     1.2446    -0.0870	C.2	1	noname	-0.0268
11	C8    -0.7714     3.6126     0.1361	C.2	1	noname	-0.0382
12	C9    -0.2231     4.7613    -0.2496	C.2	1	noname	-0.0358
13	C10    -1.0000     5.9618    -0.2441	C.3	1	noname	0.1713
14	O4    -0.1999     7.0454    -0.6936	O.3	1	noname	-0.3647
15	O5    -1.4554     6.2249     1.0749	O.3	1	noname	-0.3647
16	H1     4.3164     0.5931    -1.1173	H	1	noname	0.0535
17	H2     3.4525     2.1255    -1.3891	H	1	noname	0.0535
18	H3     5.0222     2.1255    -0.5498	H	1	noname	0.0535
19	H4     1.8238     3.4917     0.5144	H	1	noname	0.0657
20	H5     2.3869    -1.2680     1.0190	H	1	noname	0.2184
21	H6    -0.6999    -1.5224     0.5398	H	1	noname	0.2183
22	H7    -1.7260     1.1981    -0.2537	H	1	noname	0.0657
23	H8    -1.8144     3.6070     0.4529	H	1	noname	0.0627
24	H9     0.8216     4.7204    -0.5580	H	1	noname	0.0628
25	H10    -1.8589     5.8499    -0.9058	H	1	noname	0.0967
26	H11     0.1506     7.5201     0.0637	H	1	noname	0.2136
27	H12    -1.6127     5.3948     1.5307	H	1	noname	0.2136
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	4	6	1
6	4	7	1
7	5	8	2
8	7	9	1
9	7	10	2
10	8	11	1
11	8	10	1
12	11	12	2
13	12	13	1
14	13	14	1
15	13	15	1
16	3	16	1
17	3	17	1
18	3	18	1
19	5	19	1
20	6	20	1
21	9	21	1
22	10	22	1
23	11	23	1
24	12	24	1
25	13	25	1
26	14	26	1
27	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1