@<TRIPOS>MOLECULE
71587857
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2834    -2.9360    -0.6468	O.3	1	noname	-0.3434
2	O2    -3.1528    -2.4166    -1.7841	O.3	1	noname	-0.3461
3	C1    -1.7621    -4.1753    -1.1846	C.3	1	noname	0.0817
4	C2    -2.9808    -3.8117    -2.0326	C.3	1	noname	0.0763
5	C3    -2.5014    -2.1960    -0.5255	C.3	1	noname	0.1774
6	C4    -2.1931    -5.0951    -0.0404	C.3	1	noname	-0.0363
7	C5    -2.1576    -0.8386    -0.3376	C.2	1	noname	-0.0359
8	C6    -1.5553    -0.4333     0.7872	C.2	1	noname	-0.0398
9	C7    -1.1648     0.8492     1.0415	C.2	1	noname	-0.0449
10	C8    -1.0313     1.2225     2.4144	C.2	1	noname	-0.0512
11	C9    -0.9403     1.7956    -0.0203	C.2	1	noname	-0.0512
12	C10    -0.7092     2.5852     2.7489	C.2	1	noname	-0.0590
13	C11    -0.6153     3.1500     0.2919	C.2	1	noname	-0.0590
14	C12    -0.5160     3.5193     1.6744	C.2	1	noname	-0.0622
15	H1    -0.9995    -4.7054    -1.7550	H	1	noname	0.0625
16	H2    -3.8523    -4.3558    -1.6684	H	1	noname	0.0594
17	H3    -2.8268    -3.9714    -3.0998	H	1	noname	0.0594
18	H4    -3.1459    -2.4667     0.3331	H	1	noname	0.0971
19	H5    -2.5572    -6.0376    -0.4493	H	1	noname	0.0257
20	H6    -2.9878    -4.6160     0.5313	H	1	noname	0.0257
21	H7    -1.3412    -5.2871     0.6120	H	1	noname	0.0257
22	H8    -2.3647    -0.1792    -1.0464	H	1	noname	0.0629
23	H9    -1.3805    -1.1134     1.4851	H	1	noname	0.0627
24	H10    -1.1632     0.5294     3.1510	H	1	noname	0.0628
25	H11    -1.0134     1.4988    -0.9934	H	1	noname	0.0628
26	H12    -0.6207     2.8794     3.7216	H	1	noname	0.0622
27	H13    -0.4583     3.8355    -0.4469	H	1	noname	0.0622
28	H14    -0.2983     4.4887     1.9050	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	3	1
2	1	5	1
3	2	4	1
4	2	5	1
5	3	4	1
6	3	6	1
7	3	15	1
8	4	16	1
9	4	17	1
10	5	7	1
11	5	18	1
12	6	19	1
13	6	20	1
14	6	21	1
15	7	8	2
16	7	22	1
17	8	9	1
18	8	23	1
19	9	10	2
20	9	11	1
21	10	12	1
22	10	24	1
23	11	13	2
24	11	25	1
25	12	14	2
26	12	26	1
27	13	14	1
28	13	27	1
29	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1