@<TRIPOS>MOLECULE
91664853
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.5975     1.3101    -1.6742	O.3	1	noname	-0.3717
2	O2     3.2335    -1.0118     0.9281	O.3	1	noname	-0.2841
3	O3     0.1816     3.5741     2.0428	O.3	1	noname	-0.2753
4	O4     2.0668     2.6230     3.8867	O.3	1	noname	-0.2746
5	C1     1.6260     0.6693     0.2385	C.2	1	noname	-0.0100
6	C2     0.8631     1.8151     0.5171	C.2	1	noname	0.0015
7	C3     1.2922     0.1904    -1.0884	C.3	1	noname	0.0752
8	C4     0.0169     2.1084    -0.6228	C.3	1	noname	0.0753
9	C5     2.5386     0.1167     1.1852	C.2	1	noname	-0.0013
10	C6     0.9518     2.5008     1.7648	C.2	1	noname	0.0212
11	C7     2.6782     0.8224     2.4221	C.2	1	noname	0.0088
12	C8     1.9010     1.9900     2.7059	C.2	1	noname	0.0259
13	C9     3.6337     0.3411     3.4155	C.3	1	noname	0.0226
14	H1     0.6121    -0.6576    -1.0081	H	1	noname	0.0619
15	H2     2.1569    -0.1634    -1.6500	H	1	noname	0.0619
16	H3     0.1043     3.1645    -0.8781	H	1	noname	0.0619
17	H4    -1.0174     1.8689    -0.3758	H	1	noname	0.0619
18	H5     3.3694    -0.6740     3.7119	H	1	noname	0.0281
19	H6     3.6089     0.9927     4.2890	H	1	noname	0.0281
20	H7     4.6361     0.3453     2.9874	H	1	noname	0.0281
21	H8     3.0009    -1.3424     0.0353	H	1	noname	0.2182
22	H9    -0.3991     3.7666     1.2772	H	1	noname	0.2183
23	H10     1.4679     3.3975     3.9291	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	7	1
2	1	8	1
3	2	9	1
4	2	21	1
5	3	10	1
6	3	22	1
7	4	12	1
8	4	23	1
9	5	6	2
10	5	7	1
11	5	9	1
12	6	8	1
13	6	10	1
14	7	14	1
15	7	15	1
16	8	16	1
17	8	17	1
18	9	11	2
19	10	12	2
20	11	12	1
21	11	13	1
22	13	18	1
23	13	19	1
24	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1