@<TRIPOS>MOLECULE
57117450
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.1419     1.4105    -0.0730	O.3	1	noname	-0.2843
2	O2    -1.7864    -2.8064    -1.1718	O.3	1	noname	-0.2177
3	O3     5.3142     1.0397    -1.3855	O.3	1	noname	-0.2177
4	O4    -0.6403    -1.0796    -2.0533	O.2	1	noname	-0.2543
5	O5     3.2030     1.0022    -2.1689	O.2	1	noname	-0.2544
6	C1    -0.1325     0.1691     0.1564	C.2	1	noname	-0.0201
7	C2     1.9837     1.3154     0.0928	C.2	1	noname	-0.0606
8	C3     1.2560     0.1371     0.2122	C.2	1	noname	-0.0378
9	C4    -0.8968    -1.0684     0.2819	C.3	1	noname	0.0612
10	C5    -0.7933     1.3794    -0.0188	C.2	1	noname	0.0056
11	C6     3.4421     1.2818     0.1514	C.3	1	noname	0.0586
12	C7     1.3229     2.5257    -0.0825	C.2	1	noname	-0.0447
13	C8    -0.0656     2.5576    -0.1383	C.2	1	noname	-0.0284
14	C9    -1.1007    -1.6509    -1.0413	C.2	1	noname	0.1371
15	C10     3.9792     1.1007    -1.1941	C.2	1	noname	0.1371
16	H1     1.7409    -0.7509     0.3409	H	1	noname	0.0629
17	H2    -1.8636    -0.8538     0.7373	H	1	noname	0.0423
18	H3    -0.3485    -1.7722     0.9081	H	1	noname	0.0423
19	H4     3.7613     0.4539     0.7845	H	1	noname	0.0422
20	H5     3.8108     2.2198     0.5666	H	1	noname	0.0422
21	H6     1.8569     3.3903    -0.1702	H	1	noname	0.0626
22	H7    -0.5505     3.4457    -0.2669	H	1	noname	0.0650
23	H8    -2.4425     2.3346    -0.1993	H	1	noname	0.2182
24	H9    -2.2994    -2.9822    -1.9881	H	1	noname	0.2213
25	H10     5.7031     1.3525    -2.2289	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	10	1
2	1	23	1
3	2	14	1
4	2	24	1
5	3	15	1
6	3	25	1
7	4	14	2
8	5	15	2
9	6	8	1
10	6	9	1
11	6	10	2
12	7	8	2
13	7	11	1
14	7	12	1
15	8	16	1
16	9	14	1
17	9	17	1
18	9	18	1
19	10	13	1
20	11	15	1
21	11	19	1
22	11	20	1
23	12	13	2
24	12	21	1
25	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1