@<TRIPOS>MOLECULE
DB07459
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2286    -2.4733     2.4226	O.2	1	noname	-0.2963
2	C1     0.6531    -1.5796     1.7648	C.2	1	noname	0.0101
3	N1    -0.8195    -1.4386     1.6947	N.3	1	noname	-0.0739
4	C2     1.3743    -0.5545     0.9768	C.2	1	noname	-0.0184
5	C3    -1.6002    -2.6042     2.1479	C.3	1	noname	0.0454
6	C4     0.9047    -0.1971    -0.3377	C.2	1	noname	-0.0057
7	C5     2.5230     0.0766     1.5677	C.2	1	noname	-0.0057
8	C6    -3.0163    -2.5168     1.7486	C.2	1	noname	0.0098
9	C7     1.5305     0.8784    -1.0247	C.2	1	noname	-0.0087
10	C8     3.1601     1.1386     0.8751	C.2	1	noname	-0.0087
11	N2    -3.8511    -3.4536     2.3084	N.2	1	noname	-0.2456
12	C9    -3.5511    -1.5460     0.8349	C.2	1	noname	-0.0179
13	C10     2.5986     1.5639    -0.3682	C.2	1	noname	0.0196
14	C11    -5.2107    -3.5530     2.0710	C.2	1	noname	-0.0007
15	C12    -4.9462    -1.6125     0.5606	C.2	1	noname	-0.0391
16	O2     3.0993     2.7286    -0.9099	O.3	1	noname	-0.2026
17	C13    -5.7761    -2.6055     1.1709	C.2	1	noname	-0.0263
18	C14     2.5303     3.9339    -0.5237	C.2	1	noname	0.0034
19	C15     3.1602     5.0502    -1.1615	C.2	1	noname	-0.0241
20	C16     1.4325     4.1370     0.4000	C.2	1	noname	-0.0241
21	C17     2.7074     6.3780    -0.8886	C.2	1	noname	-0.0507
22	C18     0.9702     5.4579     0.6832	C.2	1	noname	-0.0507
23	C19     1.6213     6.5517     0.0296	C.2	1	noname	-0.0681
24	H1    -1.2652    -0.5973     1.3576	H	1	noname	0.1317
25	H2    -1.1896    -3.4672     1.6238	H	1	noname	0.0499
26	H3    -1.5892    -2.5721     3.2373	H	1	noname	0.0499
27	H4     0.0826    -0.7361    -0.8085	H	1	noname	0.0631
28	H5     2.9082    -0.2479     2.5344	H	1	noname	0.0631
29	H6     1.2019     1.1681    -2.0229	H	1	noname	0.0650
30	H7     4.0521     1.6124     1.2849	H	1	noname	0.0650
31	H8    -2.9224    -0.7880     0.3677	H	1	noname	0.0642
32	H9    -5.7989    -4.3284     2.5617	H	1	noname	0.0839
33	H10    -5.3863    -0.8913    -0.1281	H	1	noname	0.0623
34	H11    -6.8428    -2.6403     0.9495	H	1	noname	0.0638
35	H12     3.9853     4.8890    -1.8554	H	1	noname	0.0650
36	H13     0.9503     3.2888     0.8860	H	1	noname	0.0650
37	H14     3.1781     7.2361    -1.3684	H	1	noname	0.0623
38	H15     0.1462     5.6260     1.3765	H	1	noname	0.0623
39	H16     1.2741     7.5631     0.2408	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	6	9	1
9	7	10	2
10	8	11	2
11	8	12	1
12	9	13	2
13	10	13	1
14	11	14	1
15	12	15	2
16	13	16	1
17	14	17	2
18	15	17	1
19	16	18	1
20	18	19	2
21	18	20	1
22	19	21	1
23	20	22	2
24	21	23	2
25	22	23	1
26	3	24	1
27	5	25	1
28	5	26	1
29	6	27	1
30	7	28	1
31	9	29	1
32	10	30	1
33	12	31	1
34	14	32	1
35	15	33	1
36	17	34	1
37	19	35	1
38	20	36	1
39	21	37	1
40	22	38	1
41	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1