@<TRIPOS>MOLECULE
71352037
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4826     0.3753     0.8196	O.3	1	noname	-0.3472
2	O2     2.0324     0.8230    -0.7736	O.3	1	noname	-0.3498
3	C1     1.2870    -0.2258    -0.1745	C.3	1	noname	0.1581
4	C2     2.2453    -1.2235     0.4793	C.3	1	noname	0.0007
5	C3     3.1163    -1.8744    -0.5971	C.3	1	noname	-0.0423
6	C4     0.1043     1.5610     0.1258	C.3	1	noname	0.0814
7	C5     1.0170     1.7517    -1.0832	C.3	1	noname	0.0759
8	C6     4.0745    -2.8720     0.0567	C.3	1	noname	-0.0626
9	C7     2.2240    -2.6071    -1.6010	C.3	1	noname	-0.0626
10	C8    -1.3461     1.4357    -0.3449	C.3	1	noname	-0.0363
11	H1     0.6378    -0.6695    -0.9293	H	1	noname	0.0922
12	H2     1.6717    -1.9925     0.9967	H	1	noname	0.0321
13	H3     2.8810    -0.7015     1.1945	H	1	noname	0.0321
14	H4     3.6898    -1.1053    -1.1145	H	1	noname	0.0299
15	H5     0.1912     2.3951     0.8220	H	1	noname	0.0625
16	H6     0.4959     1.4327    -1.9859	H	1	noname	0.0594
17	H7     1.3732     2.7733    -1.2157	H	1	noname	0.0594
18	H8     4.6950    -3.3358    -0.7102	H	1	noname	0.0233
19	H9     3.5009    -3.6411     0.5740	H	1	noname	0.0233
20	H10     4.7102    -2.3500     0.7718	H	1	noname	0.0233
21	H11     2.8445    -3.0708    -2.3678	H	1	noname	0.0233
22	H12     1.5413    -1.8964    -2.0667	H	1	noname	0.0233
23	H13     1.6504    -3.3762    -1.0836	H	1	noname	0.0233
24	H14    -1.6354     2.3428    -0.8757	H	1	noname	0.0257
25	H15    -1.9973     1.2963     0.5180	H	1	noname	0.0257
26	H16    -1.4388     0.5790    -1.0123	H	1	noname	0.0257
@<TRIPOS>BOND
1	1	3	1
2	1	6	1
3	2	3	1
4	2	7	1
5	3	4	1
6	3	11	1
7	4	5	1
8	4	12	1
9	4	13	1
10	5	8	1
11	5	9	1
12	5	14	1
13	6	7	1
14	6	10	1
15	6	15	1
16	7	16	1
17	7	17	1
18	8	18	1
19	8	19	1
20	8	20	1
21	9	21	1
22	9	22	1
23	9	23	1
24	10	24	1
25	10	25	1
26	10	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1