@<TRIPOS>MOLECULE
91667942
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.1063    -0.1190     0.4729	O.3	1	noname	-0.2024
2	O2     0.0859     0.8562     2.6568	O.2	1	noname	-0.2536
3	O3     0.6172     4.0096    -3.2165	O.3	1	noname	-0.2188
4	O4     1.6261     4.0085    -1.2028	O.2	1	noname	-0.2558
5	C1     1.3032     1.4855    -0.5755	C.3	1	noname	0.0066
6	C2     1.0164    -0.0087    -0.3946	C.3	1	noname	0.0762
7	C3     0.5102     2.1319     0.5537	C.3	1	noname	0.0398
8	C4     0.7463     1.9523    -1.9219	C.3	1	noname	0.0395
9	C5     2.2275    -0.6860     0.2500	C.3	1	noname	-0.0351
10	C6     0.7799    -0.7137    -1.7318	C.3	1	noname	-0.0351
11	C7     0.1470     0.9201     1.4099	C.2	1	noname	0.1419
12	C8     1.0196     3.3761    -2.0943	C.2	1	noname	0.1350
13	H1     2.3770     1.6584    -0.5039	H	1	noname	0.0343
14	H2    -0.3991     2.5775     0.1503	H	1	noname	0.0376
15	H3     1.0296     2.9168     1.1035	H	1	noname	0.0376
16	H4    -0.3301     1.7831    -1.9483	H	1	noname	0.0376
17	H5     1.2221     1.3910    -2.7262	H	1	noname	0.0376
18	H6     3.0874    -0.6016    -0.4144	H	1	noname	0.0260
19	H7     2.0050    -1.7387     0.4242	H	1	noname	0.0260
20	H8     2.4528    -0.2003     1.1994	H	1	noname	0.0260
21	H9     1.6626    -0.6036    -2.3617	H	1	noname	0.0260
22	H10    -0.0804    -0.2674    -2.2306	H	1	noname	0.0260
23	H11     0.5890    -1.7723    -1.5556	H	1	noname	0.0260
24	H12     0.3864     4.9615    -3.1858	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	6	1
2	1	11	1
3	2	11	2
4	3	12	1
5	3	24	1
6	4	12	2
7	5	6	1
8	5	7	1
9	5	8	1
10	5	13	1
11	6	9	1
12	6	10	1
13	7	11	1
14	7	14	1
15	7	15	1
16	8	12	1
17	8	16	1
18	8	17	1
19	9	18	1
20	9	19	1
21	9	20	1
22	10	21	1
23	10	22	1
24	10	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1