@<TRIPOS>MOLECULE
101834252
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2151    -2.3278     1.1081	O.3	1	noname	-0.3851
2	O2    -1.7818     0.2825    -0.4730	O.3	1	noname	-0.3817
3	O3    -1.7481    -1.2999    -3.0728	O.2	1	noname	-0.2900
4	O4     4.6897    -0.9349     1.8203	O.3	1	noname	-0.2212
5	O5     4.7183    -2.3492     0.0677	O.2	1	noname	-0.2624
6	C1    -0.0483    -1.2488     0.2002	C.3	1	noname	0.1126
7	C2    -1.3333    -1.0582    -0.6067	C.3	1	noname	0.1462
8	C3     0.9034    -1.6087    -0.7946	C.2	1	noname	-0.0061
9	C4    -0.9937    -1.3400    -2.0769	C.2	1	noname	0.1118
10	C5     0.3896    -1.6575    -2.0260	C.2	1	noname	0.0472
11	C6     2.1790    -1.8708    -0.5243	C.2	1	noname	-0.0034
12	C7     2.7777    -1.2734     0.5021	C.2	1	noname	0.0589
13	C8     4.0821    -1.5414     0.7784	C.2	1	noname	0.0912
14	H1     0.2597    -0.3530     0.7395	H	1	noname	0.0684
15	H2    -2.1409    -1.6947    -0.2449	H	1	noname	0.0718
16	H3     0.9220    -1.8924    -2.8269	H	1	noname	0.0664
17	H4     2.6829    -2.5106    -1.0872	H	1	noname	0.0628
18	H5    -0.9571    -2.1304     1.7172	H	1	noname	0.2110
19	H6    -2.6053     0.4046    -0.9901	H	1	noname	0.2112
20	H7     2.2738    -0.6336     1.0650	H	1	noname	0.0686
21	H8     5.6525    -0.7548     1.7888	H	1	noname	0.2216
@<TRIPOS>BOND
1	6	1	1
2	1	18	1
3	7	2	1
4	2	19	1
5	3	9	2
6	4	13	1
7	4	21	1
8	5	13	2
9	6	7	1
10	6	8	1
11	6	14	1
12	7	9	1
13	7	15	1
14	8	10	2
15	8	11	1
16	9	10	1
17	10	16	1
18	11	12	2
19	11	17	1
20	12	13	1
21	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1