@<TRIPOS>MOLECULE
76963881
17 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.7919     1.5406     1.6677	O.3	1	noname	-0.3873
2	O2     0.4606     2.9553    -0.7438	O.3	1	noname	-0.3798
3	O3    -1.0015    -0.5620     2.2054	O.3	1	noname	-0.3934
4	O4    -2.2285     2.9665    -1.8236	O.3	1	noname	-0.2099
5	O5    -2.0653     0.8436    -1.0893	O.2	1	noname	-0.2443
6	C1    -0.2114     1.1733     0.7323	C.3	1	noname	0.1126
7	C2    -0.6537     2.4097    -0.0530	C.3	1	noname	0.1673
8	C3    -1.4120     0.5855     1.4765	C.3	1	noname	0.0723
9	C4    -1.6852     2.0321    -1.0148	C.2	1	noname	0.1513
10	H1     0.1889     0.4294     0.0435	H	1	noname	0.0657
11	H2    -1.0540     3.1536     0.6358	H	1	noname	0.0739
12	H3    -2.1821     0.3036     0.7585	H	1	noname	0.0591
13	H4    -1.8123     1.3294     2.1653	H	1	noname	0.0591
14	H5     1.5609     1.9171     1.1910	H	1	noname	0.2106
15	H6     0.1773     3.7472    -1.2468	H	1	noname	0.2113
16	H7    -1.7705    -0.9385     2.6821	H	1	noname	0.2101
17	H8    -2.5552     2.7149    -2.7127	H	1	noname	0.2214
@<TRIPOS>BOND
1	6	1	1
2	1	14	1
3	7	2	1
4	2	15	1
5	3	8	1
6	3	16	1
7	4	9	1
8	4	17	1
9	5	9	2
10	6	7	1
11	6	8	1
12	6	10	1
13	7	9	1
14	7	11	1
15	8	12	1
16	8	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1