@<TRIPOS>MOLECULE
DB02593
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9158    -0.5568     0.9254	O.2	1	noname	-0.2868
2	C1     0.9019     0.5646     0.3734	C.2	1	noname	0.1123
3	C2    -0.2709     1.3581     0.4088	C.2	1	noname	0.0579
4	C3     2.0514     1.0406    -0.2839	C.2	1	noname	0.0972
5	C4    -1.3905     0.9308     1.1778	C.2	1	noname	0.0749
6	C5    -0.3043     2.6075    -0.3209	C.2	1	noname	0.0512
7	C6     2.0120     2.3235    -0.9012	C.2	1	noname	0.0399
8	C7     3.3370     0.2954    -0.2441	C.3	1	noname	0.1895
9	C8    -2.5569     1.7465     1.1561	C.2	1	noname	0.0718
10	C9    -1.3460    -0.2415     1.9234	C.2	1	noname	0.1075
11	O2     0.8349     3.0373    -0.9404	O.3	1	noname	-0.1968
12	C10    -1.4913     3.4008    -0.3644	C.2	1	noname	0.0425
13	C11     3.2289     3.0125    -1.4285	C.3	1	noname	0.0213
14	O3     4.4009     1.2541    -0.0170	O.3	1	noname	-0.3446
15	O4     3.5449    -0.3565    -1.4884	O.3	1	noname	-0.3513
16	O5    -3.6319     1.3780     1.8848	O.3	1	noname	-0.2672
17	C12    -2.6177     2.9467     0.3812	C.2	1	noname	0.0637
18	O6    -2.3418    -0.5960     2.5907	O.2	1	noname	-0.2548
19	O7    -0.2274    -0.9973     1.9268	O.3	1	noname	-0.2159
20	C13     4.5198     2.2190    -1.1077	C.3	1	noname	0.0643
21	C14     4.7731    -1.0683    -1.4504	C.3	1	noname	0.0391
22	O8    -3.7622     3.6623     0.3556	O.3	1	noname	-0.2710
23	C15     5.6567     3.1964    -0.8022	C.3	1	noname	-0.0381
24	H1     3.3471    -0.4734     0.5284	H	1	noname	0.0980
25	H2    -1.5360     4.3211    -0.9467	H	1	noname	0.0679
26	H3     3.1188     3.0152    -2.5129	H	1	noname	0.0363
27	H4     3.2920     3.9552    -0.8848	H	1	noname	0.0363
28	H5    -3.4246     1.4491     2.8195	H	1	noname	0.2183
29	H6     0.0359    -1.1751     2.8328	H	1	noname	0.2216
30	H7     4.7369     1.5784    -1.9624	H	1	noname	0.0605
31	H8     5.0635    -1.2366    -0.4133	H	1	noname	0.0530
32	H9     4.6529    -2.0273    -1.9543	H	1	noname	0.0530
33	H10     5.5455    -0.4873    -1.9543	H	1	noname	0.0530
34	H11    -4.0481     3.8410     1.2544	H	1	noname	0.2183
35	H12     5.7711     3.2948     0.2773	H	1	noname	0.0257
36	H13     6.5846     2.8205    -1.2332	H	1	noname	0.0257
37	H14     5.4242     4.1702    -1.2332	H	1	noname	0.0257
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	1
11	6	12	2
12	7	13	1
13	7	11	1
14	8	14	1
15	8	15	1
16	9	16	1
17	9	17	2
18	10	18	2
19	10	19	1
20	12	17	1
21	13	20	1
22	14	20	1
23	15	21	1
24	17	22	1
25	20	23	1
26	8	24	1
27	12	25	1
28	13	26	1
29	13	27	1
30	16	28	1
31	19	29	1
32	20	30	1
33	21	31	1
34	21	32	1
35	21	33	1
36	22	34	1
37	23	35	1
38	23	36	1
39	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1