@<TRIPOS>MOLECULE
DB06990
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2164    -0.4850    -1.4746	O.2	1	noname	-0.2824
2	C1    -0.6010     0.1600    -0.5984	C.2	1	noname	0.0233
3	N1     0.2462    -0.4680     0.2887	N.3	1	noname	0.0775
4	N2    -0.7443     1.5258    -0.4832	N.3	1	noname	0.0328
5	C2     0.9359     0.2230     1.2641	C.2	1	noname	0.0649
6	C3    -0.0754     2.2587     0.4759	C.2	1	noname	-0.0013
7	O2     1.6900    -0.4038     2.0393	O.2	1	noname	-0.2893
8	C4     0.8077     1.6365     1.4074	C.2	1	noname	0.0562
9	C5    -0.2624     3.6045     0.5342	C.2	1	noname	0.0535
10	N3    -0.5342     4.2570    -0.5269	N.2	1	noname	-0.2022
11	O3    -0.7081     5.5088    -0.4726	O.3	1	noname	-0.1978
12	C6    -0.9965     6.0034    -1.7721	C.3	1	noname	0.1032
13	C7    -1.2068     7.5175    -1.7064	C.3	1	noname	0.1032
14	O4    -1.4952     8.0121    -3.0059	O.3	1	noname	-0.1986
15	N4    -1.6691     9.2639    -2.9516	N.2	1	noname	-0.2080
16	C8    -1.9409     9.9163    -4.0128	C.2	1	noname	0.0439
17	C9    -2.1279    11.2622    -3.9544	C.2	1	noname	-0.0078
18	C10    -2.4242    11.9735    -5.1113	C.2	1	noname	-0.0165
19	C11    -2.0227    11.9263    -2.7379	C.2	1	noname	-0.0165
20	C12    -2.6153    13.3490    -5.0516	C.2	1	noname	0.0018
21	C13    -2.2139    13.3019    -2.6783	C.2	1	noname	0.0018
22	C14    -2.5102    14.0132    -3.8351	C.2	1	noname	0.0061
23	C15    -2.7013    15.3887    -3.7755	C.2	1	noname	0.0847
24	O5    -2.6067    15.9860    -2.6815	O.2	1	noname	-0.2598
25	O6    -2.9891    16.0795    -4.8991	O.3	1	noname	-0.2191
26	H1     0.3656    -1.4686     0.2218	H	1	noname	0.1417
27	H2    -1.3605     2.0059    -1.1235	H	1	noname	0.1385
28	H3     1.3444     2.1989     2.1715	H	1	noname	0.0692
29	H4    -0.1924     4.1773     1.4590	H	1	noname	0.0881
30	H5    -0.0997     5.8124    -2.3616	H	1	noname	0.0620
31	H6    -1.9430     5.5430    -2.0551	H	1	noname	0.0620
32	H7    -2.1036     7.7085    -1.1170	H	1	noname	0.0620
33	H8    -0.2603     7.9779    -1.4235	H	1	noname	0.0620
34	H9    -2.0110     9.3436    -4.9375	H	1	noname	0.0870
35	H10    -2.5067    11.4526    -6.0652	H	1	noname	0.0629
36	H11    -1.7904    11.3686    -1.8307	H	1	noname	0.0629
37	H12    -2.8477    13.9068    -5.9588	H	1	noname	0.0631
38	H13    -2.1314    13.8227    -1.7243	H	1	noname	0.0631
39	H14    -3.1722    15.4657    -5.6141	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	1
9	6	8	2
10	9	10	2
11	10	11	1
12	11	12	1
13	12	13	1
14	13	14	1
15	14	15	1
16	15	16	2
17	16	17	1
18	17	18	2
19	17	19	1
20	18	20	1
21	19	21	2
22	20	22	2
23	21	22	1
24	22	23	1
25	23	24	2
26	23	25	1
27	3	26	1
28	4	27	1
29	8	28	1
30	9	29	1
31	12	30	1
32	12	31	1
33	13	32	1
34	13	33	1
35	16	34	1
36	18	35	1
37	19	36	1
38	20	37	1
39	21	38	1
40	25	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1