@<TRIPOS>MOLECULE
102117152
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9303     1.6711    -3.7992	O.3	1	noname	-0.2730
2	O2     3.4686     1.3161     0.6763	O.3	1	noname	-0.2730
3	O3     3.8163     2.2168    -1.8879	O.3	1	noname	-0.2638
4	O4    -1.1862    -0.6348     0.6789	O.3	1	noname	-0.2190
5	O5    -1.2371    -1.4150    -1.4333	O.2	1	noname	-0.2596
6	C1     0.4496     0.0366    -0.9037	C.2	1	noname	-0.0003
7	C2     1.4063     0.3134     0.0659	C.2	1	noname	0.0171
8	C3     0.6259     0.4935    -2.2046	C.2	1	noname	0.0171
9	C4     1.7590     1.2273    -2.5358	C.2	1	noname	0.0477
10	C5     2.5394     1.0472    -0.2654	C.2	1	noname	0.0477
11	C6     2.7158     1.5042    -1.5662	C.2	1	noname	0.0664
12	C7    -0.6835    -0.6972    -0.5725	C.2	1	noname	0.0844
13	H1     1.2769    -0.0219     1.0204	H	1	noname	0.0659
14	H2    -0.0761     0.2903    -2.9161	H	1	noname	0.0659
15	H3    -1.6573    -1.4066     1.0568	H	1	noname	0.2216
16	H4     1.1698     1.3906    -4.3499	H	1	noname	0.2183
17	H5     3.1909     0.9242     1.5305	H	1	noname	0.2183
18	H6     3.7831     2.4584    -2.8371	H	1	noname	0.2184
@<TRIPOS>BOND
1	1	9	1
2	1	16	1
3	2	10	1
4	2	17	1
5	3	11	1
6	3	18	1
7	4	12	1
8	4	15	1
9	5	12	2
10	6	7	2
11	6	8	1
12	6	12	1
13	7	10	1
14	7	13	1
15	8	9	2
16	8	14	1
17	9	11	1
18	10	11	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1