@<TRIPOS>MOLECULE
71774459
13 13 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.2542     0.2840     0.5070	O.3	1	noname	-0.3813
2	C1     1.8310     0.8636    -1.1004	C.3	1	noname	-0.0274
3	C2     0.6299     1.7807    -1.2954	C.3	1	noname	-0.0274
4	C3     1.2050    -0.3162    -0.3622	C.3	1	noname	0.0468
5	C4    -0.4309     1.1625    -0.3801	C.3	1	noname	0.0468
6	H1     2.1963     0.5316    -2.0722	H	1	noname	0.0291
7	H2     2.5734     1.3494    -0.4672	H	1	noname	0.0291
8	H3     0.2939     1.7242    -2.3308	H	1	noname	0.0291
9	H4     0.9027     2.7985    -1.0165	H	1	noname	0.0291
10	H5    -1.1406     0.5925    -0.9797	H	1	noname	0.0566
11	H6    -1.0056     1.9197     0.1533	H	1	noname	0.0566
12	H7     0.6898    -0.9592    -1.0758	H	1	noname	0.0566
13	H8     1.9386    -0.9257     0.1655	H	1	noname	0.0566
@<TRIPOS>BOND
1	1	4	1
2	1	5	1
3	2	3	1
4	2	4	1
5	2	6	1
6	2	7	1
7	3	5	1
8	3	8	1
9	3	9	1
10	4	12	1
11	4	13	1
12	5	10	1
13	5	11	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1