@<TRIPOS>MOLECULE
DB07477
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.1777     5.6908     0.3858	O.2	1	noname	-0.2544
2	C1     1.3717     4.4914     0.6795	C.2	1	noname	0.1371
3	O2     0.7706     3.9561     1.7634	O.3	1	noname	-0.2177
4	C2     2.2484     3.6694    -0.1495	C.3	1	noname	0.0586
5	C3     1.4933     2.5410    -0.6862	C.2	1	noname	-0.0493
6	C4     1.4299     1.3470     0.0226	C.2	1	noname	-0.0500
7	C5     0.8378     2.6606    -1.9061	C.2	1	noname	-0.0500
8	C6     0.7110     0.2727    -0.4884	C.2	1	noname	-0.0454
9	C7     0.1189     1.5863    -2.4171	C.2	1	noname	-0.0454
10	C8     0.0555     0.3923    -1.7083	C.2	1	noname	-0.0402
11	C9    -0.6634    -0.6820    -2.2193	C.2	1	noname	-0.0409
12	C10    -1.3190    -0.5623    -3.4391	C.2	1	noname	-0.0477
13	C11    -0.7268    -1.8759    -1.5104	C.2	1	noname	-0.0477
14	C12    -2.0379    -1.6366    -3.9501	C.2	1	noname	-0.0576
15	C13    -1.4457    -2.9503    -2.0214	C.2	1	noname	-0.0576
16	C14    -2.1013    -2.8306    -3.2413	C.2	1	noname	-0.0607
17	H1     0.8022     2.9983     1.7064	H	1	noname	0.2213
18	H2     2.5438     4.2835    -1.0002	H	1	noname	0.0422
19	H3     3.0081     3.2534     0.5122	H	1	noname	0.0422
20	H4     1.9439     1.2531     0.9792	H	1	noname	0.0625
21	H5     0.8875     3.5969    -2.4620	H	1	noname	0.0625
22	H6     0.6613    -0.6636     0.0675	H	1	noname	0.0629
23	H7    -0.3952     1.6802    -3.3737	H	1	noname	0.0629
24	H8    -1.2693     0.3740    -3.9950	H	1	noname	0.0629
25	H9    -0.2128    -1.9698    -0.5538	H	1	noname	0.0629
26	H10    -2.5519    -1.5427    -4.9067	H	1	noname	0.0622
27	H11    -1.4955    -3.8865    -1.4655	H	1	noname	0.0622
28	H12    -2.6650    -3.6730    -3.6420	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	2
6	5	7	1
7	6	8	1
8	7	9	2
9	8	10	2
10	9	10	1
11	10	11	1
12	11	12	2
13	11	13	1
14	12	14	1
15	13	15	2
16	14	16	2
17	15	16	1
18	3	17	1
19	4	18	1
20	4	19	1
21	6	20	1
22	7	21	1
23	8	22	1
24	9	23	1
25	12	24	1
26	13	25	1
27	14	26	1
28	15	27	1
29	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1