@<TRIPOS>MOLECULE
101413085
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.5448     1.4655    -2.0812	O.3	1	noname	-0.1745
2	O2     0.4538     1.0964     0.4667	O.3	1	noname	-0.1365
3	O3    -5.0306     0.9468    -0.3787	O.3	1	noname	-0.2768
4	O4     2.2014     2.6694     0.0740	O.2	1	noname	-0.2404
5	C1    -1.4373     1.3723    -1.0313	C.2	1	noname	0.0530
6	C2    -0.9133     1.1822     0.3086	C.2	1	noname	0.0277
7	C3    -2.8426     1.3222    -1.2809	C.2	1	noname	0.0185
8	C4    -3.6994     1.0396    -0.1741	C.2	1	noname	0.0084
9	C5    -1.7857     0.9397     1.4131	C.2	1	noname	0.0022
10	C6    -3.1837     0.8533     1.1404	C.2	1	noname	-0.0238
11	C7     0.8015     1.9747    -1.8417	C.2	1	noname	0.0731
12	C8     1.2533     1.9802    -0.3605	C.2	1	noname	0.1394
13	C9     1.5856     2.4040    -2.8264	C.2	1	noname	0.0155
14	C10    -5.3696    -0.3974    -0.6863	C.3	1	noname	0.0423
15	H1    -3.2201     1.4822    -2.2149	H	1	noname	0.0678
16	H2    -1.4234     0.8323     2.3605	H	1	noname	0.0652
17	H3    -3.8289     0.6535     1.9048	H	1	noname	0.0651
18	H4     1.2612     2.3849    -3.7616	H	1	noname	0.0567
19	H5     2.4937     2.7427    -2.6243	H	1	noname	0.0567
20	H6    -6.4444    -0.4723    -0.8515	H	1	noname	0.0535
21	H7    -5.0836    -1.0434     0.1437	H	1	noname	0.0535
22	H8    -4.8410    -0.7083    -1.5875	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	5	1
2	1	11	1
3	2	6	1
4	2	12	1
5	3	8	1
6	3	14	1
7	4	12	2
8	5	6	2
9	5	7	1
10	6	9	1
11	7	8	2
12	7	15	1
13	8	10	1
14	9	10	2
15	9	16	1
16	10	17	1
17	11	12	1
18	11	13	2
19	13	18	1
20	13	19	1
21	14	20	1
22	14	21	1
23	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1