@<TRIPOS>MOLECULE
71587277
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.3038     0.2310    -0.2521	O.3	1	noname	-0.1558
2	O2     2.1945     1.9199    -1.7197	O.2	1	noname	-0.2549
3	C1    -1.2734     0.2634     2.3819	C.3	1	noname	-0.0229
4	C2    -2.4729     0.2557     1.3766	C.3	1	noname	-0.0429
5	C3    -2.1653     1.0159     0.0478	C.3	1	noname	-0.0242
6	C4    -0.7479     1.0138    -0.2924	C.2	1	noname	0.0334
7	C5     0.1958     0.4064     0.4401	C.2	1	noname	0.0010
8	C6    -0.0021     0.0278     1.7190	C.2	1	noname	-0.0128
9	C7    -0.1591     1.6401    -1.2838	C.2	1	noname	0.0856
10	C8    -1.4973    -0.8078     3.4512	C.3	1	noname	-0.0589
11	C9     1.2396     1.3400    -1.1590	C.2	1	noname	0.1170
12	C10    -0.7815     2.4534    -2.2818	C.3	1	noname	-0.0334
13	H1    -1.1994     1.2341     2.8721	H	1	noname	0.0344
14	H2    -3.3489     0.6961     1.8528	H	1	noname	0.0276
15	H3    -2.6422    -0.7862     1.1049	H	1	noname	0.0276
16	H4    -2.7352     0.5688    -0.7668	H	1	noname	0.0317
17	H5    -2.4724     2.0602     0.1051	H	1	noname	0.0317
18	H6     0.7303    -0.4178     2.2141	H	1	noname	0.0606
19	H7    -0.6619    -0.8025     4.1514	H	1	noname	0.0236
20	H8    -2.4225    -0.5978     3.9878	H	1	noname	0.0236
21	H9    -1.5669    -1.7864     2.9761	H	1	noname	0.0236
22	H10    -0.5890     2.0299    -3.2676	H	1	noname	0.0282
23	H11    -1.8565     2.4871    -2.1045	H	1	noname	0.0282
24	H12    -0.3736     3.4630    -2.2341	H	1	noname	0.0282
@<TRIPOS>BOND
1	1	7	1
2	1	11	1
3	2	11	2
4	3	4	1
5	3	8	1
6	3	10	1
7	3	13	1
8	4	5	1
9	4	14	1
10	4	15	1
11	5	6	1
12	5	16	1
13	5	17	1
14	6	7	1
15	6	9	2
16	7	8	2
17	8	18	1
18	9	11	1
19	9	12	1
20	10	19	1
21	10	20	1
22	10	21	1
23	12	22	1
24	12	23	1
25	12	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1