@<TRIPOS>MOLECULE
57351134
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.3715    -0.2776    -0.3211	O.3	1	noname	-0.2062
2	O2     3.3715    -1.2919    -0.1124	O.2	1	noname	-0.2531
3	C1    -2.1679     0.9539    -0.4114	C.3	1	noname	-0.0511
4	C2    -0.6565     0.9821    -0.6472	C.3	1	noname	-0.0289
5	C3    -2.7931     2.2397    -0.9563	C.3	1	noname	-0.0535
6	C4    -0.0313    -0.3037    -0.1023	C.3	1	noname	0.0564
7	C5    -4.3046     2.2115    -0.7206	C.3	1	noname	-0.0561
8	C6     1.5219    -2.4635     0.7393	C.3	1	noname	0.0457
9	C7     1.7916    -3.7266    -0.0808	C.3	1	noname	-0.0234
10	C8     2.1367    -1.3149     0.0803	C.2	1	noname	0.1416
11	C9     2.1174    -2.6274     2.1390	C.3	1	noname	-0.0528
12	C10    -4.9298     3.4973    -1.2655	C.3	1	noname	-0.0654
13	C11     1.2350    -3.5734    -1.3891	C.2	1	noname	-0.0951
14	C12     1.3501    -4.5544    -2.2798	C.2	1	noname	-0.0988
15	H1    -2.5997     0.0944    -0.9241	H	1	noname	0.0267
16	H2    -2.3676     0.8775     0.6574	H	1	noname	0.0267
17	H3    -0.4568     1.0585    -1.7160	H	1	noname	0.0290
18	H4    -0.2247     1.8416    -0.1345	H	1	noname	0.0290
19	H5    -2.5935     2.3161    -2.0252	H	1	noname	0.0266
20	H6    -2.3614     3.0992    -0.4437	H	1	noname	0.0266
21	H7    -0.4631    -1.1633    -0.6149	H	1	noname	0.0573
22	H8    -0.2309    -0.3801     0.9666	H	1	noname	0.0573
23	H9    -4.7363     1.3520    -1.2332	H	1	noname	0.0264
24	H10    -4.5042     2.1351     0.3482	H	1	noname	0.0264
25	H11     0.4465    -2.3044     0.8183	H	1	noname	0.0409
26	H12     1.3326    -4.5842     0.4112	H	1	noname	0.0317
27	H13     2.8670    -3.8858    -0.1599	H	1	noname	0.0317
28	H14     1.9253    -1.7275     2.7233	H	1	noname	0.0239
29	H15     1.6584    -3.4849     2.6310	H	1	noname	0.0239
30	H16     3.1929    -2.7865     2.0600	H	1	noname	0.0239
31	H17    -6.0066     3.4772    -1.0975	H	1	noname	0.0230
32	H18    -4.7301     3.5737    -2.3343	H	1	noname	0.0230
33	H19    -4.4980     4.3568    -0.7528	H	1	noname	0.0230
34	H20     0.7640    -2.7372    -1.6319	H	1	noname	0.0569
35	H21     1.8210    -5.3907    -2.0371	H	1	noname	0.0534
36	H22     0.9647    -4.4484    -3.1856	H	1	noname	0.0534
@<TRIPOS>BOND
1	1	6	1
2	1	10	1
3	2	10	2
4	3	4	1
5	3	5	1
6	3	15	1
7	3	16	1
8	4	6	1
9	4	17	1
10	4	18	1
11	5	7	1
12	5	19	1
13	5	20	1
14	6	21	1
15	6	22	1
16	7	12	1
17	7	23	1
18	7	24	1
19	8	9	1
20	8	10	1
21	8	11	1
22	8	25	1
23	9	13	1
24	9	26	1
25	9	27	1
26	11	28	1
27	11	29	1
28	11	30	1
29	12	31	1
30	12	32	1
31	12	33	1
32	13	14	2
33	13	34	1
34	14	35	1
35	14	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1