@<TRIPOS>MOLECULE
71587331
15 14 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.2566     0.9226    -0.3057	O.3	1	noname	-0.3933
2	C1     1.3229    -0.0952     0.0243	C.3	1	noname	0.0510
3	C2     1.2186    -1.0872    -1.1359	C.3	1	noname	-0.0301
4	C3    -0.0476     0.5342     0.2820	C.3	1	noname	-0.0390
5	C4     2.5891    -1.7165    -1.3936	C.3	1	noname	-0.0629
6	H1     1.6570    -0.6180     0.9204	H	1	noname	0.0597
7	H2     0.5019    -1.8684    -0.8826	H	1	noname	0.0290
8	H3     0.8845    -0.5643    -2.0321	H	1	noname	0.0290
9	H4    -0.7643    -0.2470     0.5353	H	1	noname	0.0256
10	H5    -0.3817     1.0570    -0.6142	H	1	noname	0.0256
11	H6     0.0267     1.2409     1.1085	H	1	noname	0.0256
12	H7     2.5148    -2.4232    -2.2201	H	1	noname	0.0231
13	H8     2.9232    -2.2393    -0.4974	H	1	noname	0.0231
14	H9     3.3058    -0.9353    -1.6469	H	1	noname	0.0231
15	H10     2.3234     1.5580     0.4374	H	1	noname	0.2104
@<TRIPOS>BOND
1	2	1	1
2	1	15	1
3	2	3	1
4	2	4	1
5	2	6	1
6	3	5	1
7	3	7	1
8	3	8	1
9	4	9	1
10	4	10	1
11	4	11	1
12	5	12	1
13	5	13	1
14	5	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1