@<TRIPOS>MOLECULE
71587859
42 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4970     1.6519    -0.2629	O.3	1	noname	-0.2064
2	O2    -3.5223     2.6367    -0.2306	O.2	1	noname	-0.2532
3	C1     1.8175    -0.0241     0.2443	C.3	1	noname	-0.0420
4	C2     2.9139    -0.4466    -0.7356	C.3	1	noname	-0.0503
5	C3     0.6671     0.6260    -0.5270	C.3	1	noname	-0.0264
6	C4     3.4320     0.7839    -1.4828	C.3	1	noname	-0.0493
7	C5     1.2994    -1.2546     0.9915	C.3	1	noname	-0.0624
8	C6    -0.4293     1.0485     0.4529	C.3	1	noname	0.0567
9	C7     4.5284     0.3614    -2.4627	C.3	1	noname	-0.0325
10	C8     5.0126     1.5115    -3.1611	C.2	1	noname	-0.0872
11	C9    -2.6585     1.9758     1.8517	C.3	1	noname	0.0395
12	C10    -2.5824     2.1056     0.3995	C.2	1	noname	0.1413
13	C11     6.0478     1.3716    -4.1377	C.3	1	noname	-0.0442
14	C12     4.5002     2.7112    -2.9023	C.2	1	noname	-0.0933
15	C13    -3.8780     1.1306     2.2250	C.3	1	noname	-0.0534
16	C14    -2.7879     3.3640     2.4817	C.3	1	noname	-0.0534
17	H1     2.2250     0.6904     0.9595	H	1	noname	0.0300
18	H2     2.5064    -1.1611    -1.4508	H	1	noname	0.0269
19	H3     3.7335    -0.9098    -0.1862	H	1	noname	0.0269
20	H4     0.2596    -0.0885    -1.2422	H	1	noname	0.0293
21	H5     1.0362     1.5027    -1.0593	H	1	noname	0.0293
22	H6     2.6124     1.2471    -2.0323	H	1	noname	0.0270
23	H7     3.8395     1.4984    -0.7676	H	1	noname	0.0270
24	H8     0.5183    -0.9536     1.6896	H	1	noname	0.0233
25	H9     0.8919    -1.9691     0.2763	H	1	noname	0.0233
26	H10     2.1190    -1.7178     1.5409	H	1	noname	0.0233
27	H11    -0.7984     0.1719     0.9853	H	1	noname	0.0573
28	H12    -0.0218     1.7630     1.1681	H	1	noname	0.0573
29	H13     4.1209    -0.3531    -3.1780	H	1	noname	0.0312
30	H14     5.3480    -0.1018    -1.9133	H	1	noname	0.0312
31	H15    -1.7543     1.4920     2.2211	H	1	noname	0.0403
32	H16     5.7111     0.7043    -4.9311	H	1	noname	0.0276
33	H17     6.2831     2.3485    -4.5602	H	1	noname	0.0276
34	H18     6.9382     0.9556    -3.6664	H	1	noname	0.0276
35	H19     4.8354     3.5074    -3.3858	H	1	noname	0.0537
36	H20     3.7835     2.8080    -2.2262	H	1	noname	0.0537
37	H21    -3.9348     1.0337     3.3092	H	1	noname	0.0238
38	H22    -4.7822     1.6144     1.8556	H	1	noname	0.0238
39	H23    -3.7858     0.1416     1.7762	H	1	noname	0.0238
40	H24    -2.8447     3.2671     3.5659	H	1	noname	0.0238
41	H25    -3.6921     3.8478     2.1123	H	1	noname	0.0238
42	H26    -1.9191     3.9661     2.2157	H	1	noname	0.0238
@<TRIPOS>BOND
1	1	8	1
2	1	12	1
3	2	12	2
4	3	4	1
5	3	5	1
6	3	7	1
7	3	17	1
8	4	6	1
9	4	18	1
10	4	19	1
11	5	8	1
12	5	20	1
13	5	21	1
14	6	9	1
15	6	22	1
16	6	23	1
17	7	24	1
18	7	25	1
19	7	26	1
20	8	27	1
21	8	28	1
22	9	10	1
23	9	29	1
24	9	30	1
25	10	13	1
26	10	14	2
27	11	12	1
28	11	15	1
29	11	16	1
30	11	31	1
31	13	32	1
32	13	33	1
33	13	34	1
34	14	35	1
35	14	36	1
36	15	37	1
37	15	38	1
38	15	39	1
39	16	40	1
40	16	41	1
41	16	42	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1