@<TRIPOS>MOLECULE
109374079
18 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.1939    -0.2286     0.2135	O.3	1	noname	-0.2176
2	O2     1.4554    -0.5609     1.6062	O.2	1	noname	-0.2543
3	O3    -2.2823    -1.5822     0.3368	O.3	1	noname	-0.2189
4	O4    -0.4182    -2.4540    -0.5783	O.2	1	noname	-0.2590
5	O5    -1.1092     3.1229     0.8192	O.3	1	noname	-0.2204
6	O6     0.7102     2.1616    -0.0963	O.2	1	noname	-0.2611
7	C1     0.9155    -0.1019    -0.6336	C.3	1	noname	0.0648
8	C2    -0.4169    -0.2375    -0.1323	C.2	1	noname	0.1051
9	C3    -1.0620     0.8264     0.3379	C.2	1	noname	0.1019
10	C4     1.8678    -0.3091     0.4534	C.2	1	noname	0.1372
11	C5    -1.0245    -1.4542    -0.1364	C.2	1	noname	0.1041
12	C6    -0.4544     2.0431     0.3419	C.2	1	noname	0.0998
13	H1     1.0481     0.8978    -1.0472	H	1	noname	0.0424
14	H2     1.0874    -0.8436    -1.4136	H	1	noname	0.0424
15	H3    -1.9844     0.7325     0.6849	H	1	noname	0.0691
16	H4     3.8027     0.0700     0.9211	H	1	noname	0.2213
17	H5    -2.5688    -2.4258     0.7450	H	1	noname	0.2216
18	H6    -0.6081     3.8566     1.2326	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	10	1
2	1	16	1
3	2	10	2
4	3	11	1
5	3	17	1
6	4	11	2
7	5	12	1
8	5	18	1
9	6	12	2
10	7	8	1
11	7	10	1
12	7	13	1
13	7	14	1
14	8	9	2
15	8	11	1
16	9	12	1
17	9	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1