@<TRIPOS>MOLECULE
91810656
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1462    -2.1314    -0.5863	O.3	1	noname	-0.2168
2	O2     4.2458     2.6287    -0.6379	O.3	1	noname	-0.2178
3	O3     3.3611    -1.2402     0.9970	O.2	1	noname	-0.2561
4	O4    -2.1154    -2.5334     0.2877	O.2	1	noname	-0.2667
5	O5    -3.4766     0.3150    -0.0461	O.3	1	noname	-0.3870
6	O6     4.4227     1.0971     0.9388	O.2	1	noname	-0.2577
7	N1    -0.4625    -1.0841    -0.1304	N.3	1	noname	-0.1234
8	C1     0.2504     0.1032    -0.1900	C.2	1	noname	0.0440
9	C2     1.6612     0.1795     0.0600	C.2	1	noname	0.0652
10	C3     2.2727     1.4858     0.0700	C.2	1	noname	0.0507
11	C4    -0.4503     1.2788    -0.5285	C.2	1	noname	0.0016
12	C5     1.4783     2.6575    -0.1402	C.2	1	noname	0.0061
13	C6     0.1189     2.5405    -0.3875	C.2	1	noname	-0.0147
14	C7     2.4169    -1.0371     0.1980	C.2	1	noname	0.1029
15	C8    -1.7421    -1.3393     0.3125	C.2	1	noname	0.1431
16	C9     3.6515     1.7117     0.1684	C.2	1	noname	0.0970
17	C10    -2.7313    -0.4204     0.9185	C.3	1	noname	0.1170
18	H1    -1.3971     1.2455    -0.9020	H	1	noname	0.0639
19	H2     1.8922     3.6076    -0.1726	H	1	noname	0.0631
20	H3    -0.0088    -1.8936    -0.4179	H	1	noname	0.1372
21	H4    -0.4561     3.3758    -0.5016	H	1	noname	0.0623
22	H5    -3.4147    -0.9876     1.5504	H	1	noname	0.0661
23	H6    -2.1898     0.3363     1.4863	H	1	noname	0.0661
24	H7     2.7195    -2.9507    -0.5458	H	1	noname	0.2216
25	H8     5.2260     2.6776    -0.6442	H	1	noname	0.2216
26	H9    -4.1124     0.9037     0.4118	H	1	noname	0.2107
@<TRIPOS>BOND
1	1	14	1
2	1	24	1
3	2	16	1
4	2	25	1
5	3	14	2
6	4	15	2
7	5	17	1
8	5	26	1
9	6	16	2
10	7	8	1
11	7	15	1
12	7	20	1
13	8	9	1
14	8	11	2
15	9	10	2
16	9	14	1
17	10	12	1
18	10	16	1
19	11	13	1
20	11	18	1
21	12	13	2
22	12	19	1
23	13	21	1
24	15	17	1
25	17	22	1
26	17	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1