@<TRIPOS>MOLECULE
109374205
18 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5737    -0.8825     0.0423	O.3	1	noname	-0.2176
2	O2     1.9802    -0.5854     1.5686	O.2	1	noname	-0.2543
3	O3    -2.0460    -1.3802     0.4660	O.3	1	noname	-0.2189
4	O4    -0.3990    -2.4288    -0.3366	O.2	1	noname	-0.2590
5	O5    -1.7870     2.9667     0.9469	O.3	1	noname	-0.2204
6	O6    -2.5870     0.9671     0.9998	O.2	1	noname	-0.2611
7	C1     1.3309    -0.2818    -0.7254	C.3	1	noname	0.0648
8	C2    -0.0454    -0.0994    -0.2156	C.2	1	noname	0.1051
9	C3    -0.3911     1.1871     0.1086	C.2	1	noname	0.1019
10	C4     2.2962    -0.5923     0.3550	C.2	1	noname	0.1372
11	C5    -0.8157    -1.2823    -0.0545	C.2	1	noname	0.1041
12	C6    -1.5900     1.6516     0.6810	C.2	1	noname	0.0998
13	H1     1.3417    -1.0837    -1.4636	H	1	noname	0.0424
14	H2     1.7116     0.6264    -1.1926	H	1	noname	0.0424
15	H3     0.2907     1.9348    -0.0350	H	1	noname	0.0691
16	H4     4.0961    -1.4786     0.6188	H	1	noname	0.2213
17	H5    -2.6375    -2.1117     0.1913	H	1	noname	0.2216
18	H6    -2.3679     3.2349     1.6893	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