@<TRIPOS>MOLECULE
118797984
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4525    -2.0923     0.0920	O.3	1	noname	-0.3410
2	O2    -2.6920    -1.2821    -1.2662	O.3	1	noname	-0.3495
3	O3     0.3312     1.1553     1.1534	O.3	1	noname	-0.3872
4	O4    -1.4792    -2.5174    -2.8412	O.3	1	noname	-0.3657
5	O5     1.6566    -0.8829     1.6888	O.3	1	noname	-0.3657
6	C1    -0.9689    -0.4024    -0.1266	C.3	1	noname	0.0447
7	C2    -0.4137    -1.5726    -0.8972	C.3	1	noname	0.1191
8	C3     0.3681     0.2998     0.0206	C.3	1	noname	0.1124
9	C4    -2.0519    -0.0022    -1.0987	C.3	1	noname	0.0581
10	C5    -1.6553    -2.2731    -1.4535	C.3	1	noname	0.1814
11	C6     1.2573    -0.9186     0.3266	C.3	1	noname	0.1816
12	H1    -1.4369    -0.6190     0.8521	H	1	noname	0.0383
13	H2     0.1535    -1.1566    -1.7299	H	1	noname	0.0662
14	H3     0.6333     0.7481    -0.9369	H	1	noname	0.0658
15	H4    -2.7409     0.6876    -0.6113	H	1	noname	0.0572
16	H5    -1.6199     0.3398    -2.0392	H	1	noname	0.0572
17	H6    -1.9203    -3.1824    -0.9139	H	1	noname	0.0948
18	H7     2.1296    -0.8812    -0.3259	H	1	noname	0.0948
19	H8     1.1948     1.6089     1.2484	H	1	noname	0.2106
20	H9    -2.3190    -2.8468    -3.2241	H	1	noname	0.2134
21	H10     2.1801    -1.6849     1.8968	H	1	noname	0.2134
@<TRIPOS>BOND
1	1	7	1
2	1	11	1
3	2	9	1
4	2	10	1
5	8	3	1
6	3	19	1
7	10	4	1
8	4	20	1
9	11	5	1
10	5	21	1
11	6	7	1
12	6	8	1
13	6	9	1
14	6	12	1
15	7	10	1
16	7	13	1
17	8	11	1
18	8	14	1
19	9	15	1
20	9	16	1
21	10	17	1
22	11	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1