@<TRIPOS>MOLECULE
88940957
35 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.8016     4.0741     0.1517	O.3	1	noname	-0.3886
2	C1     1.0327     4.0184     3.8434	C.2	1	noname	-0.0223
3	C2     1.7128     2.8544     3.3735	C.2	1	noname	-0.0272
4	C3     1.8721     3.9816     1.1656	C.2	1	noname	-0.0378
5	C4     2.1770     2.8837     2.0318	C.2	1	noname	-0.0298
6	C5     0.6663     4.0542     5.2225	C.2	1	noname	-0.0200
7	C6     0.7610     5.1488     3.0070	C.2	1	noname	-0.0355
8	C7     2.3918     4.0038    -0.2413	C.3	1	noname	0.0275
9	C8     1.1681     5.1080     1.6524	C.2	1	noname	-0.0430
10	C9     3.7619     3.2448    -0.3459	C.3	1	noname	0.0766
11	C10     0.9805     2.9387     6.0747	C.2	1	noname	-0.0333
12	C11    -0.0128     5.1998     5.7425	C.2	1	noname	-0.0334
13	C12     3.0109     1.8678     1.5224	C.2	1	noname	-0.0431
14	C13     1.9969     1.7576     4.2430	C.2	1	noname	-0.0388
15	C14     0.0881     6.2876     3.5373	C.2	1	noname	-0.0422
16	C15     3.7354     2.0034     0.4004	C.2	1	noname	-0.0528
17	C16     1.6505     1.7981     5.6018	C.2	1	noname	-0.0411
18	C17    -0.3048     6.3052     4.9014	C.2	1	noname	-0.0418
19	C18     0.5885     2.9560     7.4311	C.2	1	noname	-0.0456
20	C19    -0.3907     5.1849     7.1119	C.2	1	noname	-0.0456
21	C20    -0.0971     4.0736     7.9485	C.2	1	noname	-0.0529
22	H1     1.6650     3.5348    -0.9045	H	1	noname	0.0346
23	H2     2.4525     5.0252    -0.6170	H	1	noname	0.0346
24	H3     0.9550     5.8873     1.0297	H	1	noname	0.0632
25	H4     4.0194     3.0601    -1.3887	H	1	noname	0.0649
26	H5     3.0649     1.0116     2.0166	H	1	noname	0.0626
27	H6     2.4602     0.9294     3.8691	H	1	noname	0.0629
28	H7    -0.1108     7.0886     2.9379	H	1	noname	0.0629
29	H8     4.2662     1.2340     0.0741	H	1	noname	0.0603
30	H9     1.8779     1.0243     6.2263	H	1	noname	0.0629
31	H10    -0.7984     7.1144     5.2780	H	1	noname	0.0629
32	H11     0.8009     2.1618     8.0350	H	1	noname	0.0629
33	H12    -0.8828     5.9882     7.5030	H	1	noname	0.0629
34	H13    -0.3837     4.0851     8.9273	H	1	noname	0.0623
35	H14     4.8435     4.8982    -0.3771	H	1	noname	0.2108
@<TRIPOS>BOND
1	10	1	1
2	1	35	1
3	2	3	2
4	2	6	1
5	2	7	1
6	3	5	1
7	3	14	1
8	4	5	2
9	4	8	1
10	4	9	1
11	5	13	1
12	6	11	1
13	6	12	2
14	7	9	2
15	7	15	1
16	8	10	1
17	8	22	1
18	8	23	1
19	9	24	1
20	10	16	1
21	10	25	1
22	11	17	1
23	11	19	2
24	12	18	1
25	12	20	1
26	13	16	2
27	13	26	1
28	14	17	2
29	14	27	1
30	15	18	2
31	15	28	1
32	16	29	1
33	17	30	1
34	18	31	1
35	19	21	1
36	19	32	1
37	20	21	2
38	20	33	1
39	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1