@<TRIPOS>MOLECULE
87891888
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0991     0.0787    -1.5829	O.3	1	noname	-0.1982
2	O2    -1.5878    -1.7879     0.0593	O.3	1	noname	-0.3794
3	O3    -0.7179    -2.0153     2.7272	O.3	1	noname	-0.3794
4	O4    -0.2159     1.2096     0.3613	O.2	1	noname	-0.2424
5	O5     0.7690     0.2513     3.7514	O.3	1	noname	-0.2097
6	O6     1.5925     0.1019     1.6605	O.2	1	noname	-0.2441
7	C1    -0.4141    -1.1267     0.5082	C.3	1	noname	0.1750
8	C2    -0.5466    -0.8084     1.9989	C.3	1	noname	0.1748
9	C3    -0.2380     0.1143    -0.2406	C.2	1	noname	0.1566
10	C4     0.6601    -0.1285     2.4605	C.2	1	noname	0.1515
11	C5    -0.5506     1.1691    -2.3726	C.3	1	noname	0.0537
12	C6    -0.2765     0.8774    -3.8493	C.3	1	noname	-0.0409
13	H1     0.4497    -1.7723     0.3499	H	1	noname	0.0744
14	H2    -1.4105    -0.1628     2.1572	H	1	noname	0.0744
15	H3    -1.6212     1.3078    -2.2222	H	1	noname	0.0570
16	H4    -0.0218     2.0753    -2.0770	H	1	noname	0.0570
17	H5    -1.5029    -1.9918    -0.8955	H	1	noname	0.2113
18	H6    -0.8028    -1.8115     3.6820	H	1	noname	0.2113
19	H7    -0.6231     1.7144    -4.4554	H	1	noname	0.0254
20	H8    -0.8053    -0.0288    -4.1448	H	1	noname	0.0254
21	H9     0.7941     0.7387    -3.9996	H	1	noname	0.0254
22	H10     1.3012     1.0397     3.9870	H	1	noname	0.2214
@<TRIPOS>BOND
1	1	9	1
2	1	11	1
3	7	2	1
4	2	17	1
5	8	3	1
6	3	18	1
7	4	9	2
8	5	10	1
9	5	22	1
10	6	10	2
11	7	8	1
12	7	9	1
13	7	13	1
14	8	10	1
15	8	14	1
16	11	12	1
17	11	15	1
18	11	16	1
19	12	19	1
20	12	20	1
21	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1