@<TRIPOS>MOLECULE
70109725
16 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.1400     4.2480    -0.6937	O.3	1	noname	-0.2830
2	O2    -0.3164    -1.7210     0.7186	O.3	1	noname	-0.2194
3	O3    -1.9730    -1.1596    -0.7002	O.2	1	noname	-0.2602
4	C1    -0.4108     0.4470    -0.2414	C.2	1	noname	-0.0165
5	C2     0.9584     0.6571    -0.1271	C.2	1	noname	0.0043
6	C3    -1.2581     1.5162    -0.5080	C.2	1	noname	0.0043
7	C4     1.4804     1.9364    -0.2793	C.2	1	noname	-0.0140
8	C5    -0.7362     2.7955    -0.6602	C.2	1	noname	-0.0140
9	C6     0.6331     3.0055    -0.5459	C.2	1	noname	0.0221
10	C7    -0.9328    -0.8322    -0.0892	C.2	1	noname	0.0803
11	H1     1.5802    -0.1274     0.0685	H	1	noname	0.0632
12	H2    -2.2629     1.3621    -0.5919	H	1	noname	0.0632
13	H3     2.4852     2.0905    -0.1954	H	1	noname	0.0650
14	H4    -1.3579     3.5800    -0.8558	H	1	noname	0.0650
15	H5    -0.3706    -2.6799     0.5237	H	1	noname	0.2216
16	H6     0.4121     4.8783    -0.8757	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	9	1
2	1	16	1
3	2	10	1
4	2	15	1
5	3	10	2
6	4	5	2
7	4	6	1
8	4	10	1
9	5	7	1
10	5	11	1
11	6	8	2
12	6	12	1
13	7	9	2
14	7	13	1
15	8	9	1
16	8	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1