@<TRIPOS>MOLECULE
DB04583
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.1000     2.2863     0.0000	O.2	1	noname	-0.2597
2	C1     3.4750     1.2038     0.0000	C.2	1	noname	0.0858
3	O2     4.1500     0.0346     0.0000	O.3	1	noname	-0.2190
4	C2     2.0850     1.2038     0.0000	C.2	1	noname	0.0164
5	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0214
6	C4     1.3900     2.4076     0.0000	C.2	1	noname	0.0346
7	C5     0.0000     0.0000     0.0000	C.2	1	noname	-0.0064
8	C6    -0.0000     2.4076     0.0000	C.2	1	noname	0.0118
9	C7    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0393
10	C8    -0.6950     1.2038     0.0000	C.2	1	noname	0.0180
11	C9    -0.6950     3.6113     0.0000	C.2	1	noname	0.0102
12	C10    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0418
13	C11    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0418
14	O3    -1.9450     3.6113     0.0000	O.2	1	noname	-0.2975
15	N1    -0.0250     4.7718     0.0000	N.3	1	noname	-0.0881
16	C12    -2.7800    -2.4076     0.0000	C.2	1	noname	-0.0431
17	C13    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0431
18	C14    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0381
19	C15    -2.7800    -4.8151     0.0000	C.2	1	noname	-0.0409
20	C16    -2.0850    -6.0189     0.0000	C.2	1	noname	-0.0477
21	C17    -4.1700    -4.8151     0.0000	C.2	1	noname	-0.0477
22	C18    -2.7800    -7.2227     0.0000	C.2	1	noname	-0.0576
23	C19    -4.8650    -6.0189     0.0000	C.2	1	noname	-0.0576
24	C20    -4.1700    -7.2227     0.0000	C.2	1	noname	-0.0606
25	H1     4.3100    -0.2425     0.9051	H	1	noname	0.2216
26	H2     1.9350    -0.9440     0.0000	H	1	noname	0.0637
27	H3     1.9350     3.3515     0.0000	H	1	noname	0.0639
28	H4    -1.7850     1.2038     0.0000	H	1	noname	0.0637
29	H5    -2.6300    -0.2598     0.0000	H	1	noname	0.0629
30	H6     1.0900    -2.4076     0.0000	H	1	noname	0.0629
31	H7     0.9850     4.7718     0.0000	H	1	noname	0.1274
32	H8    -0.5300     5.6465     0.0000	H	1	noname	0.1274
33	H9    -3.8700    -2.4076     0.0000	H	1	noname	0.0629
34	H10    -0.1500    -4.5553     0.0000	H	1	noname	0.0629
35	H11    -0.9950    -6.0189     0.0000	H	1	noname	0.0629
36	H12    -4.7150    -3.8711     0.0000	H	1	noname	0.0629
37	H13    -2.2350    -8.1666     0.0000	H	1	noname	0.0622
38	H14    -5.9550    -6.0189     0.0000	H	1	noname	0.0622
39	H15    -4.7150    -8.1666     0.0000	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	1
9	7	10	2
10	8	11	1
11	8	10	1
12	9	12	2
13	9	13	1
14	11	14	2
15	11	15	1
16	12	16	1
17	13	17	2
18	16	18	2
19	17	18	1
20	18	19	1
21	19	20	2
22	19	21	1
23	20	22	1
24	21	23	2
25	22	24	2
26	23	24	1
27	3	25	1
28	5	26	1
29	6	27	1
30	10	28	1
31	12	29	1
32	13	30	1
33	15	31	1
34	15	32	1
35	16	33	1
36	17	34	1
37	20	35	1
38	21	36	1
39	22	37	1
40	23	38	1
41	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1