@<TRIPOS>MOLECULE
71586762
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.6345     6.2421    -0.2107	O.3	1	noname	-0.2178
2	O2     3.5155     4.7305    -1.6289	O.2	1	noname	-0.2546
3	C1     2.6111     3.8769     0.3642	C.3	1	noname	0.0519
4	C2     3.0368     2.6371    -0.2072	C.2	1	noname	-0.0704
5	C3     2.1477     1.6799    -0.4569	C.2	1	noname	-0.0624
6	C4     2.9440     4.9709    -0.5435	C.2	1	noname	0.1368
7	C5     2.5436     0.5268    -0.9883	C.2	1	noname	-0.0474
8	C6     1.6546    -0.4304    -1.2380	C.2	1	noname	-0.0367
9	C7     0.4353    -0.2444    -0.9707	C.1	1	noname	-0.0321
10	C8    -0.7182    -0.0685    -0.7177	C.1	1	noname	-0.0197
11	C9    -6.6483     0.8360     0.5825	C.3	1	noname	-0.0017
12	C10    -1.8718     0.1075    -0.4648	C.1	1	noname	-0.0074
13	C11    -5.3325     0.6353     0.2940	C.1	1	noname	-0.0638
14	C12    -3.0254     0.2834    -0.2119	C.1	1	noname	-0.0102
15	C13    -4.1789     0.4593     0.0411	C.1	1	noname	-0.0334
16	H1     1.5331     3.8524     0.5237	H	1	noname	0.0416
17	H2     3.1161     4.0298     1.3180	H	1	noname	0.0416
18	H3     3.9932     2.4912    -0.4169	H	1	noname	0.0581
19	H4     1.1913     1.8258    -0.2472	H	1	noname	0.0619
20	H5     3.5001     0.3809    -1.1981	H	1	noname	0.0629
21	H6     1.9493    -1.2887    -1.6336	H	1	noname	0.0720
22	H7     2.4355     6.8975    -0.9116	H	1	noname	0.2213
23	H8    -7.2646     0.3226    -0.1556	H	1	noname	0.0366
24	H9    -6.8668     0.4424     1.5752	H	1	noname	0.0366
25	H10    -6.8668     1.9036     0.5589	H	1	noname	0.0366
@<TRIPOS>BOND
1	1	6	1
2	1	22	1
3	2	6	2
4	3	4	1
5	3	6	1
6	3	16	1
7	3	17	1
8	4	5	2
9	4	18	1
10	5	7	1
11	5	19	1
12	7	8	2
13	7	20	1
14	8	9	1
15	8	21	1
16	9	10	3
17	10	12	1
18	11	13	1
19	11	23	1
20	11	24	1
21	11	25	1
22	12	14	3
23	13	15	3
24	14	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1