@<TRIPOS>MOLECULE
DB07295
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.9536    -4.9651     0.3793	O.2	1	noname	-0.2580
2	C1     3.2996    -3.9039     0.2016	C.2	1	noname	0.0918
3	O2     1.9793    -4.1583     0.1661	O.3	1	noname	-0.2179
4	C2     3.9143    -2.6014     0.0443	C.2	1	noname	0.0253
5	C3     3.2553    -1.2798    -0.0242	C.2	1	noname	0.0332
6	C4     5.3529    -2.6935    -0.0300	C.2	1	noname	0.0011
7	N1     1.9125    -0.9000     0.3202	N.3	1	noname	-0.0889
8	C5     4.1102    -0.1626    -0.3760	C.2	1	noname	-0.0129
9	C6     6.1331    -1.5402    -0.2577	C.2	1	noname	-0.0405
10	C7     1.2094     0.2922    -0.0073	C.2	1	noname	-0.0021
11	C8     1.2060    -1.6519     1.3024	C.2	1	noname	0.1974
12	C9     5.5135    -0.2878    -0.4722	C.2	1	noname	-0.0285
13	C10    -0.0737     0.3850    -0.6796	C.2	1	noname	-0.0072
14	C11     1.7376     1.5211     0.5165	C.2	1	noname	-0.0231
15	O3     1.8309    -2.2173     2.2256	O.2	1	noname	-0.2337
16	C12    -0.1784    -1.7569     1.2342	C.2	1	noname	0.1783
17	C13    -0.7898     1.6655    -0.7563	C.2	1	noname	-0.0436
18	C14    -0.7413    -0.7632    -1.1816	C.2	1	noname	-0.0102
19	C15     1.0915     2.7628     0.3616	C.2	1	noname	-0.0473
20	O4    -0.7983    -2.4167     2.0961	O.2	1	noname	-0.2248
21	O5    -0.8533    -1.1463     0.2371	O.3	1	noname	-0.1944
22	C16    -2.1300     1.8040    -1.1973	C.2	1	noname	-0.0368
23	C17    -0.1738     2.8305    -0.2718	C.2	1	noname	-0.0449
24	C18    -2.0994    -0.6282    -1.5809	C.2	1	noname	0.0045
25	C19    -2.7953     0.6117    -1.5826	C.2	1	noname	-0.0272
26	O6    -2.7817    -1.7406    -1.9232	O.3	1	noname	-0.2854
27	H1     1.6417    -4.2233     1.0624	H	1	noname	0.2216
28	H2     5.8593    -3.6515     0.0881	H	1	noname	0.0631
29	H3     3.6775     0.8174    -0.5777	H	1	noname	0.0639
30	H4     7.2204    -1.6171    -0.2681	H	1	noname	0.0622
31	H5     6.1203     0.5851    -0.7129	H	1	noname	0.0623
32	H6     2.6813     1.5109     1.0619	H	1	noname	0.0639
33	H7    -0.2261    -1.7207    -1.2582	H	1	noname	0.0657
34	H8     1.5697     3.6699     0.7312	H	1	noname	0.0623
35	H9    -1.2428    -1.8088    -0.3382	H	1	noname	0.2218
36	H10    -2.6227     2.7754    -1.2379	H	1	noname	0.0630
37	H11    -0.6788     3.7895    -0.3875	H	1	noname	0.0629
38	H12    -3.8432     0.6482    -1.8804	H	1	noname	0.0650
39	H13    -3.0636    -2.2001    -1.1288	H	1	noname	0.2181
@<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	5	8	1
8	6	9	2
9	7	10	1
10	7	11	1
11	8	12	2
12	9	12	1
13	10	13	1
14	10	14	2
15	11	15	2
16	11	16	1
17	13	17	1
18	13	18	2
19	14	19	1
20	16	20	2
21	16	21	1
22	17	22	2
23	17	23	1
24	18	24	1
25	19	23	2
26	22	25	1
27	24	26	1
28	24	25	2
29	3	27	1
30	6	28	1
31	8	29	1
32	9	30	1
33	12	31	1
34	14	32	1
35	18	33	1
36	19	34	1
37	21	35	1
38	22	36	1
39	23	37	1
40	25	38	1
41	26	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1