@<TRIPOS>MOLECULE
DB07407
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2286     0.6431    -4.3676	O.2	1	noname	-0.2453
2	C1     0.3028     1.4232    -4.0564	C.2	1	noname	0.1226
3	O2     0.1925     2.6196    -4.6721	O.3	1	noname	-0.2088
4	C2    -0.6130     1.0588    -3.0763	C.2	1	noname	0.0853
5	O3    -0.3538     0.2513    -2.0280	O.3	1	noname	-0.3218
6	C3    -1.9366     1.4688    -3.0231	C.2	1	noname	0.0499
7	C4    -1.4801     0.1277    -1.2951	C.2	1	noname	0.0816
8	C5    -2.4813     0.8759    -1.8926	C.2	1	noname	0.0235
9	C6    -1.6134    -0.6249    -0.1341	C.2	1	noname	0.0001
10	C7    -0.8420    -1.7670     0.0462	C.2	1	noname	0.0276
11	C8    -2.5183    -0.2354     0.8465	C.2	1	noname	-0.0221
12	O4     0.0369    -2.1453    -0.9062	O.3	1	noname	-0.2718
13	C9    -0.9753    -2.5196     1.2072	C.2	1	noname	-0.0229
14	C10    -2.6517    -0.9880     2.0075	C.2	1	noname	-0.0645
15	C11    -0.6073    -3.0138    -1.8265	C.3	1	noname	0.0423
16	C12    -1.8802    -2.1301     2.1879	C.2	1	noname	-0.0409
17	H1     0.1284     3.3142    -4.0125	H	1	noname	0.2217
18	H2    -2.4464     2.1252    -3.7282	H	1	noname	0.0653
19	H3    -3.5072     0.9791    -1.5390	H	1	noname	0.0651
20	H4    -3.1233     0.6602     0.7051	H	1	noname	0.0630
21	H5    -0.3703    -3.4152     1.3487	H	1	noname	0.0650
22	H6    -3.3612    -0.6826     2.7765	H	1	noname	0.0622
23	H7    -1.1690    -3.7710    -1.2795	H	1	noname	0.0535
24	H8    -1.2886    -2.4384    -2.4533	H	1	noname	0.0535
25	H9     0.1411    -3.4987    -2.4533	H	1	noname	0.0535
26	H10    -1.9847    -2.7203     3.0983	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	2
6	5	7	1
7	6	8	1
8	7	9	1
9	7	8	2
10	9	10	2
11	9	11	1
12	10	12	1
13	10	13	1
14	11	14	2
15	12	15	1
16	13	16	2
17	14	16	1
18	3	17	1
19	6	18	1
20	8	19	1
21	11	20	1
22	13	21	1
23	14	22	1
24	15	23	1
25	15	24	1
26	15	25	1
27	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1