@<TRIPOS>MOLECULE
DB03017
38 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     6.1650    -3.9675     0.0000	O.2	1	noname	-0.2559
2	C1     5.5400    -2.8850     0.0000	C.2	1	noname	0.1348
3	O2     6.2150    -1.7159     0.0000	O.3	1	noname	-0.2189
4	C2     4.0800    -2.8850     0.0000	C.3	1	noname	0.0335
5	C3     3.5700    -1.4425     0.0000	C.3	1	noname	-0.0439
6	C4     2.0400    -1.4425     0.0000	C.3	1	noname	-0.0528
7	C5     1.5300     0.0000     0.0000	C.3	1	noname	-0.0533
8	C6     0.0000     0.0000     0.0000	C.3	1	noname	-0.0533
9	C7    -0.5100     1.4425     0.0000	C.3	1	noname	-0.0533
10	C8    -2.0400     1.4425     0.0000	C.3	1	noname	-0.0533
11	C9    -2.5500     2.8850     0.0000	C.3	1	noname	-0.0533
12	C10    -4.0800     2.8850     0.0000	C.3	1	noname	-0.0535
13	C11    -4.5900     4.3275     0.0000	C.3	1	noname	-0.0561
14	C12    -6.1200     4.3275     0.0000	C.3	1	noname	-0.0654
15	H1     6.3750    -1.4387     0.9051	H	1	noname	0.2213
16	H2     3.7802    -3.3402    -0.9440	H	1	noname	0.0372
17	H3     3.7802    -3.3402     0.9440	H	1	noname	0.0372
18	H4     3.8847    -0.9975     0.9440	H	1	noname	0.0272
19	H5     3.8847    -0.9975    -0.9440	H	1	noname	0.0272
20	H6     1.7253    -1.8875    -0.9440	H	1	noname	0.0267
21	H7     1.7253    -1.8875     0.9440	H	1	noname	0.0267
22	H8     1.8447     0.4450     0.9440	H	1	noname	0.0266
23	H9     1.8447     0.4450    -0.9440	H	1	noname	0.0266
24	H10    -0.3147    -0.4450    -0.9440	H	1	noname	0.0266
25	H11    -0.3147    -0.4450     0.9440	H	1	noname	0.0266
26	H12    -0.1953     1.8875     0.9440	H	1	noname	0.0266
27	H13    -0.1953     1.8875    -0.9440	H	1	noname	0.0266
28	H14    -2.3547     0.9975    -0.9440	H	1	noname	0.0266
29	H15    -2.3547     0.9975     0.9440	H	1	noname	0.0266
30	H16    -2.2353     3.3300     0.9440	H	1	noname	0.0266
31	H17    -2.2353     3.3300    -0.9440	H	1	noname	0.0266
32	H18    -4.3947     2.4400    -0.9440	H	1	noname	0.0266
33	H19    -4.3947     2.4400     0.9440	H	1	noname	0.0266
34	H20    -4.2753     4.7725     0.9440	H	1	noname	0.0264
35	H21    -4.2753     4.7725    -0.9440	H	1	noname	0.0264
36	H22    -6.4833     4.3275     1.0277	H	1	noname	0.0230
37	H23    -6.4833     5.2175    -0.5138	H	1	noname	0.0230
38	H24    -6.4833     3.4375    -0.5138	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	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	13	14	1
14	3	15	1
15	4	16	1
16	4	17	1
17	5	18	1
18	5	19	1
19	6	20	1
20	6	21	1
21	7	22	1
22	7	23	1
23	8	24	1
24	8	25	1
25	9	26	1
26	9	27	1
27	10	28	1
28	10	29	1
29	11	30	1
30	11	31	1
31	12	32	1
32	12	33	1
33	13	34	1
34	13	35	1
35	14	36	1
36	14	37	1
37	14	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1