@<TRIPOS>MOLECULE
119058003
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.9497    -0.0407    -1.2098	O.3	1	noname	-0.3882
2	O2     6.1875     3.7761    -3.7844	O.3	1	noname	-0.3933
3	O3    -0.3739     0.2256    -0.3210	O.3	1	noname	-0.3683
4	C1     3.3360     2.1650    -1.9608	C.3	1	noname	-0.0202
5	C2     4.5911     2.2429    -2.8323	C.3	1	noname	-0.0245
6	C3     2.9045     0.7041    -1.8175	C.3	1	noname	0.0812
7	C4     5.0226     3.7038    -2.9756	C.3	1	noname	0.0514
8	C5     1.7068     0.6297    -0.9859	C.2	1	noname	0.0166
9	C6     5.3251     4.2843    -1.5926	C.3	1	noname	-0.0390
10	C7     1.5913     1.0580     0.3292	C.2	1	noname	0.0103
11	C8     0.4758     0.1187    -1.3638	C.2	1	noname	0.0480
12	C9     0.2850     0.7915     0.7104	C.2	1	noname	0.0395
13	H1     2.5337     2.7367    -2.4272	H	1	noname	0.0297
14	H2     3.5515     2.5785    -0.9756	H	1	noname	0.0297
15	H3     4.3756     1.8294    -3.8175	H	1	noname	0.0294
16	H4     5.3934     1.6712    -2.3658	H	1	noname	0.0294
17	H5     2.6890     0.2906    -2.8027	H	1	noname	0.0652
18	H6     4.2203     4.2755    -3.4420	H	1	noname	0.0597
19	H7     4.4309     4.2287    -0.9718	H	1	noname	0.0256
20	H8     5.6325     5.3250    -1.6947	H	1	noname	0.0256
21	H9     6.1274     3.7125    -1.1262	H	1	noname	0.0256
22	H10     2.3211     1.4835     0.9008	H	1	noname	0.0648
23	H11     0.2495    -0.2731    -2.2780	H	1	noname	0.0904
24	H12     3.6733    -0.9764    -1.1180	H	1	noname	0.2109
25	H13     5.9938     3.4043    -4.6702	H	1	noname	0.2104
26	H14    -0.1148     0.9920     1.6271	H	1	noname	0.0900
@<TRIPOS>BOND
1	6	1	1
2	1	24	1
3	7	2	1
4	2	25	1
5	3	11	1
6	3	12	1
7	4	5	1
8	4	6	1
9	4	13	1
10	4	14	1
11	5	7	1
12	5	15	1
13	5	16	1
14	6	8	1
15	6	17	1
16	7	9	1
17	7	18	1
18	8	10	1
19	8	11	2
20	9	19	1
21	9	20	1
22	9	21	1
23	10	12	2
24	10	22	1
25	11	23	1
26	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1