@<TRIPOS>MOLECULE
DB06894
39 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     6.0833    -4.2238     0.0000	O.3	1	noname	-0.3962
2	C1     5.6100    -2.8850     0.0000	C.3	1	noname	0.0432
3	C2     4.0800    -2.8850     0.0000	C.3	1	noname	-0.0299
4	C3     3.5700    -1.4425     0.0000	C.3	1	noname	-0.0511
5	C4     2.0400    -1.4425     0.0000	C.3	1	noname	-0.0532
6	C5     1.5300     0.0000     0.0000	C.3	1	noname	-0.0533
7	C6     0.0000     0.0000     0.0000	C.3	1	noname	-0.0533
8	C7    -0.5100     1.4425     0.0000	C.3	1	noname	-0.0533
9	C8    -2.0400     1.4425     0.0000	C.3	1	noname	-0.0533
10	C9    -2.5500     2.8850     0.0000	C.3	1	noname	-0.0533
11	C10    -4.0800     2.8850     0.0000	C.3	1	noname	-0.0535
12	C11    -4.5900     4.3275     0.0000	C.3	1	noname	-0.0561
13	C12    -6.1200     4.3275     0.0000	C.3	1	noname	-0.0654
14	H1     6.1900    -4.5255     0.9051	H	1	noname	0.2100
15	H2     5.9477    -2.4572     0.9440	H	1	noname	0.0563
16	H3     5.9477    -2.4572    -0.9440	H	1	noname	0.0563
17	H4     3.7653    -3.3300    -0.9440	H	1	noname	0.0290
18	H5     3.7653    -3.3300     0.9440	H	1	noname	0.0290
19	H6     3.8847    -0.9975     0.9440	H	1	noname	0.0267
20	H7     3.8847    -0.9975    -0.9440	H	1	noname	0.0267
21	H8     1.7253    -1.8875    -0.9440	H	1	noname	0.0266
22	H9     1.7253    -1.8875     0.9440	H	1	noname	0.0266
23	H10     1.8447     0.4450     0.9440	H	1	noname	0.0266
24	H11     1.8447     0.4450    -0.9440	H	1	noname	0.0266
25	H12    -0.3147    -0.4450    -0.9440	H	1	noname	0.0266
26	H13    -0.3147    -0.4450     0.9440	H	1	noname	0.0266
27	H14    -0.1953     1.8875     0.9440	H	1	noname	0.0266
28	H15    -0.1953     1.8875    -0.9440	H	1	noname	0.0266
29	H16    -2.3547     0.9975    -0.9440	H	1	noname	0.0266
30	H17    -2.3547     0.9975     0.9440	H	1	noname	0.0266
31	H18    -2.2353     3.3300     0.9440	H	1	noname	0.0266
32	H19    -2.2353     3.3300    -0.9440	H	1	noname	0.0266
33	H20    -4.3947     2.4400    -0.9440	H	1	noname	0.0266
34	H21    -4.3947     2.4400     0.9440	H	1	noname	0.0266
35	H22    -4.2753     4.7725     0.9440	H	1	noname	0.0264
36	H23    -4.2753     4.7725    -0.9440	H	1	noname	0.0264
37	H24    -6.4833     4.3275     1.0277	H	1	noname	0.0230
38	H25    -6.4833     5.2175    -0.5138	H	1	noname	0.0230
39	H26    -6.4833     3.4375    -0.5138	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	10	11	1
11	11	12	1
12	12	13	1
13	1	14	1
14	2	15	1
15	2	16	1
16	3	17	1
17	3	18	1
18	4	19	1
19	4	20	1
20	5	21	1
21	5	22	1
22	6	23	1
23	6	24	1
24	7	25	1
25	7	26	1
26	8	27	1
27	8	28	1
28	9	29	1
29	9	30	1
30	10	31	1
31	10	32	1
32	11	33	1
33	11	34	1
34	12	35	1
35	12	36	1
36	13	37	1
37	13	38	1
38	13	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1