@<TRIPOS>MOLECULE
109374050
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4652    -1.2194    -0.7972	O.3	1	noname	-0.3441
2	O2     1.5749    -0.8376    -1.5526	O.3	1	noname	-0.1998
3	O3     1.4061     1.6536    -0.8975	O.3	1	noname	-0.3873
4	O4    -2.0843     1.8735    -0.9680	O.3	1	noname	-0.3875
5	O5    -0.3987    -2.4526    -2.4967	O.3	1	noname	-0.3656
6	O6     3.3454    -2.2158    -1.7490	O.2	1	noname	-0.2546
7	C1     0.1944     1.1659    -1.4545	C.3	1	noname	0.1142
8	C2    -0.9424     1.2590    -0.3892	C.3	1	noname	0.1087
9	C3     0.4586    -0.2020    -2.1578	C.3	1	noname	0.1462
10	C4    -1.3357    -0.1359     0.1789	C.3	1	noname	0.0866
11	C5    -0.7773    -1.1465    -2.0877	C.3	1	noname	0.1846
12	C6    -0.3380    -0.5442     1.2647	C.3	1	noname	-0.0359
13	C7     2.3627    -1.6564    -2.2817	C.2	1	noname	0.1414
14	C8     2.0668    -1.8884    -3.6925	C.3	1	noname	0.0220
15	H1    -0.1539     1.8399    -2.2371	H	1	noname	0.0658
16	H2    -0.6095     1.9127     0.4170	H	1	noname	0.0656
17	H3     0.7819    -0.0737    -3.1908	H	1	noname	0.0692
18	H4    -2.2756    -0.0402     0.7227	H	1	noname	0.0629
19	H5    -1.5050    -0.7207    -2.7786	H	1	noname	0.0949
20	H6    -0.2416     0.2625     1.9914	H	1	noname	0.0258
21	H7    -0.6945    -1.4441     1.7659	H	1	noname	0.0258
22	H8     0.6328    -0.7418     0.8103	H	1	noname	0.0258
23	H9     1.2882     2.5879    -0.6264	H	1	noname	0.2106
24	H10    -2.7981     1.9320    -0.2991	H	1	noname	0.2106
25	H11    -1.1984    -3.0123    -2.5840	H	1	noname	0.2134
26	H12     1.8854    -2.9507    -3.8557	H	1	noname	0.0336
27	H13     1.1805    -1.3207    -3.9760	H	1	noname	0.0336
28	H14     2.9135    -1.5669    -4.2989	H	1	noname	0.0336
@<TRIPOS>BOND
1	1	10	1
2	1	11	1
3	9	2	1
4	2	13	1
5	7	3	1
6	3	23	1
7	8	4	1
8	4	24	1
9	11	5	1
10	5	25	1
11	6	13	2
12	7	8	1
13	7	9	1
14	7	15	1
15	8	10	1
16	8	16	1
17	9	11	1
18	9	17	1
19	10	12	1
20	10	18	1
21	11	19	1
22	12	20	1
23	12	21	1
24	12	22	1
25	13	14	1
26	14	26	1
27	14	27	1
28	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1