@<TRIPOS>MOLECULE
DB07268
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4619    -2.3997     1.4877	O.2	1	noname	-0.2965
2	C1     0.6312    -1.7937     1.4686	C.2	1	noname	0.0098
3	N1     1.7773    -2.4747     1.6031	N.3	1	noname	-0.0872
4	C2     0.6578    -0.4132     1.3079	C.2	1	noname	-0.0132
5	C3     1.9090     0.2886     1.2851	C.2	1	noname	0.0087
6	C4    -0.5605     0.3189     1.1639	C.2	1	noname	-0.0208
7	N2     3.0350    -0.4027     0.9570	N.3	1	noname	0.0118
8	C5     1.9592     1.7224     1.2750	C.2	1	noname	-0.0446
9	C6    -0.4861     1.7444     1.0445	C.2	1	noname	-0.0692
10	C7     3.4149    -0.6543    -0.3485	C.2	1	noname	0.0395
11	C8     0.7482     2.4663     1.1308	C.2	1	noname	-0.0464
12	N3     4.5746    -1.3643    -0.5593	N.2	1	noname	-0.2321
13	C9     2.6318    -0.1941    -1.4535	C.2	1	noname	-0.0246
14	C10     5.0563    -1.6770    -1.8008	C.2	1	noname	0.0844
15	C11     3.1323    -0.5189    -2.7359	C.2	1	noname	0.0083
16	N4     4.2943    -1.2288    -2.8517	N.2	1	noname	-0.2570
17	N5     6.1892    -2.3701    -1.9786	N.3	1	noname	0.0318
18	C12     7.2242    -1.5224    -2.0545	C.2	1	noname	-0.0214
19	C13     8.5118    -2.0125    -2.2392	C.2	1	noname	-0.0276
20	C14     7.0103    -0.1531    -1.9485	C.2	1	noname	-0.0670
21	C15     9.5854    -1.1332    -2.3179	C.2	1	noname	-0.0031
22	C16     8.0839     0.7262    -2.0272	C.2	1	noname	-0.0532
23	O2    10.8360    -1.6091    -2.4973	O.3	1	noname	-0.2855
24	C17     9.3715     0.2362    -2.2119	C.2	1	noname	-0.0520
25	H1     1.7624    -3.4833     1.6538	H	1	noname	0.1274
26	H2     2.6561    -1.9794     1.6538	H	1	noname	0.1274
27	H3    -1.5209    -0.1964     1.1457	H	1	noname	0.0631
28	H4     3.6122    -0.7428     1.7128	H	1	noname	0.1357
29	H5     2.9114     2.2432     1.3761	H	1	noname	0.0639
30	H6    -1.4075     2.3034     0.8811	H	1	noname	0.0622
31	H7     0.7655     3.5553     1.0879	H	1	noname	0.0623
32	H8     1.7083     0.3706    -1.3260	H	1	noname	0.0672
33	H9     2.6155    -0.2180    -3.6472	H	1	noname	0.0841
34	H10     6.2531    -3.3759    -2.0451	H	1	noname	0.1373
35	H11     8.6795    -3.0863    -2.3223	H	1	noname	0.0666
36	H12     6.0006     0.2312    -1.8037	H	1	noname	0.0639
37	H13     7.9162     1.8000    -1.9441	H	1	noname	0.0624
38	H14    11.2448    -1.7647    -1.6427	H	1	noname	0.2181
39	H15    10.2134     0.9257    -2.2737	H	1	noname	0.0650
@<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	8	11	2
11	9	11	1
12	10	12	2
13	10	13	1
14	12	14	1
15	13	15	2
16	14	16	2
17	14	17	1
18	15	16	1
19	17	18	1
20	18	19	2
21	18	20	1
22	19	21	1
23	20	22	2
24	21	23	1
25	21	24	2
26	22	24	1
27	3	25	1
28	3	26	1
29	6	27	1
30	7	28	1
31	8	29	1
32	9	30	1
33	11	31	1
34	13	32	1
35	15	33	1
36	17	34	1
37	19	35	1
38	20	36	1
39	22	37	1
40	23	38	1
41	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1