@<TRIPOS>MOLECULE
69832084
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0862    -0.2913    -0.1406	O.3	1	noname	-0.3415
2	O2    -0.4528    -0.0020    -3.5672	O.3	1	noname	-0.3732
3	O3    -1.0003     2.1753    -2.5011	O.3	1	noname	-0.3873
4	O4    -0.5468    -2.3035    -1.2044	O.3	1	noname	-0.3656
5	O5     0.4839     1.7968     1.6606	O.3	1	noname	-0.3934
6	C1    -1.2409     1.1141    -1.5888	C.3	1	noname	0.1137
7	C2    -1.0610    -0.2201    -2.3027	C.3	1	noname	0.1362
8	C3    -0.1192     1.0677    -0.5553	C.3	1	noname	0.1125
9	C4    -0.0876    -0.9728    -1.3911	C.3	1	noname	0.1840
10	C5    -0.4859     1.9555     0.6356	C.3	1	noname	0.0722
11	C6    -0.2851    -1.2453    -4.2324	C.3	1	noname	0.0363
12	H1    -2.1873     1.1700    -1.0509	H	1	noname	0.0658
13	H2    -2.0141    -0.7326    -2.4326	H	1	noname	0.0685
14	H3     0.8258     1.3230    -1.0348	H	1	noname	0.0657
15	H4     0.9116    -0.9109    -1.8223	H	1	noname	0.0949
16	H5    -1.4662     1.6676     1.0152	H	1	noname	0.0591
17	H6    -0.5112     2.9978     0.3175	H	1	noname	0.0591
18	H7    -1.1160     3.0334    -2.0420	H	1	noname	0.2106
19	H8     0.0470    -2.7692    -0.5791	H	1	noname	0.2134
20	H9     0.1817    -1.0780    -5.2031	H	1	noname	0.0529
21	H10    -1.2580    -1.7160    -4.3735	H	1	noname	0.0529
22	H11     0.3497    -1.8963    -3.6313	H	1	noname	0.0529
23	H12     0.2491     2.3655     2.4234	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	8	1
2	1	9	1
3	7	2	1
4	2	11	1
5	6	3	1
6	3	18	1
7	9	4	1
8	4	19	1
9	5	10	1
10	5	23	1
11	6	7	1
12	6	8	1
13	6	12	1
14	7	9	1
15	7	13	1
16	8	10	1
17	8	14	1
18	9	15	1
19	10	16	1
20	10	17	1
21	11	20	1
22	11	21	1
23	11	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1