@<TRIPOS>MOLECULE
DB04082
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.0433    -2.7813     0.0000	O.3	1	noname	-0.3555
2	C1     5.4633    -2.7813     0.0000	C.3	1	noname	0.1433
3	C2     3.5700    -1.4425     0.0000	C.3	1	noname	0.0495
4	O2     5.9367    -4.1201     0.0000	O.3	1	noname	-0.3705
5	C3     2.0400    -1.4425     0.0000	C.3	1	noname	-0.0295
6	C4     1.5300     0.0000     0.0000	C.3	1	noname	-0.0511
7	C5     0.0000     0.0000     0.0000	C.3	1	noname	-0.0532
8	C6    -0.5100     1.4425     0.0000	C.3	1	noname	-0.0533
9	C7    -2.0400     1.4425     0.0000	C.3	1	noname	-0.0533
10	C8    -2.5500     2.8850     0.0000	C.3	1	noname	-0.0533
11	C9    -4.0800     2.8850     0.0000	C.3	1	noname	-0.0535
12	C10    -4.5900     4.3275     0.0000	C.3	1	noname	-0.0561
13	C11    -6.1200     4.3275     0.0000	C.3	1	noname	-0.0654
14	H1     5.7780    -2.3363    -0.9440	H	1	noname	0.0880
15	H2     5.7780    -2.3363     0.9440	H	1	noname	0.0880
16	H3     3.9077    -1.0147     0.9440	H	1	noname	0.0567
17	H4     3.9077    -1.0147    -0.9440	H	1	noname	0.0567
18	H5     6.0433    -4.4218     0.9051	H	1	noname	0.2130
19	H6     1.7253    -1.8875    -0.9440	H	1	noname	0.0290
20	H7     1.7253    -1.8875     0.9440	H	1	noname	0.0290
21	H8     1.8447     0.4450     0.9440	H	1	noname	0.0267
22	H9     1.8447     0.4450    -0.9440	H	1	noname	0.0267
23	H10    -0.3147    -0.4450    -0.9440	H	1	noname	0.0266
24	H11    -0.3147    -0.4450     0.9440	H	1	noname	0.0266
25	H12    -0.1953     1.8875     0.9440	H	1	noname	0.0266
26	H13    -0.1953     1.8875    -0.9440	H	1	noname	0.0266
27	H14    -2.3547     0.9975    -0.9440	H	1	noname	0.0266
28	H15    -2.3547     0.9975     0.9440	H	1	noname	0.0266
29	H16    -2.2353     3.3300     0.9440	H	1	noname	0.0266
30	H17    -2.2353     3.3300    -0.9440	H	1	noname	0.0266
31	H18    -4.3947     2.4400    -0.9440	H	1	noname	0.0266
32	H19    -4.3947     2.4400     0.9440	H	1	noname	0.0266
33	H20    -4.2753     4.7725     0.9440	H	1	noname	0.0264
34	H21    -4.2753     4.7725    -0.9440	H	1	noname	0.0264
35	H22    -6.4833     4.3275     1.0277	H	1	noname	0.0230
36	H23    -6.4833     5.2175    -0.5138	H	1	noname	0.0230
37	H24    -6.4833     3.4375    -0.5138	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	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	2	14	1
14	2	15	1
15	3	16	1
16	3	17	1
17	4	18	1
18	5	19	1
19	5	20	1
20	6	21	1
21	6	22	1
22	7	23	1
23	7	24	1
24	8	25	1
25	8	26	1
26	9	27	1
27	9	28	1
28	10	29	1
29	10	30	1
30	11	31	1
31	11	32	1
32	12	33	1
33	12	34	1
34	13	35	1
35	13	36	1
36	13	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1