@<TRIPOS>MOLECULE
76971677
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2000     1.3164    -1.5126	O.3	1	noname	-0.3880
2	O2     2.7165     2.8236    -0.7277	O.3	1	noname	-0.3847
3	O3     3.0685     0.1973    -1.4633	O.2	1	noname	-0.2872
4	O4    -2.4445    -0.7564     0.6999	O.3	1	noname	-0.2820
5	C1    -0.6635     1.2520    -0.1992	C.3	1	noname	0.0852
6	C2     0.4251     2.3523    -0.0322	C.3	1	noname	0.0111
7	C3     1.9055     1.8637    -0.0464	C.3	1	noname	0.1198
8	C4    -0.2023    -0.1405     0.0600	C.2	1	noname	0.0273
9	C5     1.1745    -0.5257    -0.1614	C.2	1	noname	0.0044
10	C6     2.1526     0.4606    -0.6544	C.2	1	noname	0.1107
11	C7    -1.1573    -1.1075     0.4943	C.2	1	noname	0.0245
12	C8     1.5973    -1.8678     0.0546	C.2	1	noname	-0.0255
13	C9    -0.7296    -2.4506     0.7076	C.2	1	noname	-0.0082
14	C10     0.6316    -2.8260     0.4899	C.2	1	noname	-0.0373
15	H1    -1.5036     1.4742     0.4529	H	1	noname	0.0654
16	H2     0.2367     2.9140     0.8828	H	1	noname	0.0328
17	H3     0.2776     3.0370    -0.8673	H	1	noname	0.0328
18	H4     2.2196     1.8042     0.9956	H	1	noname	0.0688
19	H5     2.5685    -2.1392    -0.0981	H	1	noname	0.0630
20	H6    -1.4026    -3.1510     1.0188	H	1	noname	0.0650
21	H7    -0.4838     1.1705    -2.1655	H	1	noname	0.2109
22	H8     0.9179    -3.7922     0.6476	H	1	noname	0.0623
23	H9     2.6611     3.6855    -0.2647	H	1	noname	0.2110
24	H10    -2.9541    -1.5404     0.9932	H	1	noname	0.2182
@<TRIPOS>BOND
1	5	1	1
2	1	21	1
3	7	2	1
4	2	23	1
5	3	10	2
6	4	11	1
7	4	24	1
8	5	6	1
9	5	8	1
10	5	15	1
11	6	7	1
12	6	16	1
13	6	17	1
14	7	10	1
15	7	18	1
16	8	9	2
17	8	11	1
18	9	10	1
19	9	12	1
20	11	13	2
21	12	14	2
22	12	19	1
23	13	14	1
24	13	20	1
25	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1