@<TRIPOS>MOLECULE
71587345
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.6078    -1.7177     0.7278	O.3	1	noname	-0.2059
2	O2    -0.5720    -2.2655     1.5203	O.2	1	noname	-0.2526
3	C1     5.3727    -2.0062     1.5304	C.3	1	noname	-0.0430
4	C2     5.0439    -1.0769     0.3603	C.3	1	noname	0.0068
5	C3     3.5958    -1.0038     0.1890	C.2	1	noname	-0.0570
6	C4     6.8902    -2.0829     1.7099	C.3	1	noname	-0.0624
7	C5     4.8221    -3.4042     1.2417	C.3	1	noname	-0.0624
8	C6     2.8644    -0.0327     0.8628	C.2	1	noname	-0.0626
9	C7     2.9486    -1.9053    -0.6481	C.2	1	noname	-0.0626
10	C8     0.8385    -0.8646    -0.1373	C.2	1	noname	-0.0581
11	C9     1.4857     0.0369     0.6997	C.2	1	noname	-0.0558
12	C10     1.5700    -1.8357    -0.8112	C.2	1	noname	-0.0558
13	C11    -0.6095    -0.7915    -0.3086	C.3	1	noname	0.0588
14	C12    -1.2611    -1.6296     0.6937	C.2	1	noname	0.1422
15	C13    -3.2730    -1.9515     1.9603	C.3	1	noname	0.0561
16	C14    -4.7834    -2.0071     1.7222	C.3	1	noname	-0.0318
17	C15    -5.5001    -2.2590     3.0502	C.3	1	noname	-0.0632
18	H1     4.9182    -1.6178     2.4418	H	1	noname	0.0300
19	H2     5.4362    -0.0810     0.5660	H	1	noname	0.0318
20	H3     5.4984    -1.4654    -0.5511	H	1	noname	0.0318
21	H4     7.1245    -2.7449     2.5435	H	1	noname	0.0233
22	H5     7.2825    -1.0869     1.9156	H	1	noname	0.0233
23	H6     7.3448    -2.4713     0.7986	H	1	noname	0.0233
24	H7     5.0564    -4.0663     2.0753	H	1	noname	0.0233
25	H8     3.7410    -3.3496     1.1138	H	1	noname	0.0233
26	H9     5.2766    -3.7927     0.3303	H	1	noname	0.0233
27	H10     3.3393     0.6288     1.4771	H	1	noname	0.0625
28	H11     3.4854    -2.6179    -1.1426	H	1	noname	0.0625
29	H12     0.9490     0.7495     1.1942	H	1	noname	0.0625
30	H13     1.0951    -2.4972    -1.4254	H	1	noname	0.0625
31	H14    -0.9380     0.2409    -0.1882	H	1	noname	0.0422
32	H15    -0.8757    -1.1436    -1.3053	H	1	noname	0.0422
33	H16    -3.0443    -1.1439     2.6556	H	1	noname	0.0572
34	H17    -2.9364    -2.8992     2.3808	H	1	noname	0.0572
35	H18    -5.1200    -1.0594     1.3018	H	1	noname	0.0287
36	H19    -5.0121    -2.8147     1.0269	H	1	noname	0.0287
37	H20    -6.5761    -2.2986     2.8806	H	1	noname	0.0231
38	H21    -5.2714    -1.4514     3.7455	H	1	noname	0.0231
39	H22    -5.1635    -3.2067     3.4707	H	1	noname	0.0231
@<TRIPOS>BOND
1	1	14	1
2	1	15	1
3	2	14	2
4	3	4	1
5	3	6	1
6	3	7	1
7	3	18	1
8	4	5	1
9	4	19	1
10	4	20	1
11	5	8	2
12	5	9	1
13	6	21	1
14	6	22	1
15	6	23	1
16	7	24	1
17	7	25	1
18	7	26	1
19	8	11	1
20	8	27	1
21	9	12	2
22	9	28	1
23	10	11	2
24	10	12	1
25	10	13	1
26	11	29	1
27	12	30	1
28	13	14	1
29	13	31	1
30	13	32	1
31	15	16	1
32	15	33	1
33	15	34	1
34	16	17	1
35	16	35	1
36	16	36	1
37	17	37	1
38	17	38	1
39	17	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1