@<TRIPOS>MOLECULE
71587852
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4976    -0.3347     0.6326	O.3	1	noname	-0.3461
2	O2     2.4529     0.8779    -0.2642	O.3	1	noname	-0.3461
3	O3     0.1609     2.6535     1.6233	O.3	1	noname	-0.3882
4	C1     0.3014     2.2185     0.2789	C.3	1	noname	0.1010
5	C2     1.9457    -0.1715     0.6058	C.3	1	noname	0.1768
6	C3    -0.2881     0.7845     0.1329	C.3	1	noname	0.0784
7	C4     1.8134     2.1720    -0.0968	C.3	1	noname	0.0784
8	C5     2.5592    -1.4159     0.2593	C.2	1	noname	-0.0507
9	C6     1.3649    -1.3708    -1.8112	C.3	1	noname	-0.0351
10	C7     2.2794    -1.9938    -0.9054	C.2	1	noname	-0.0657
11	C8     2.0772    -1.0764    -3.1329	C.3	1	noname	-0.0527
12	C9     1.0988    -0.4098    -4.1021	C.3	1	noname	-0.0651
13	H1    -0.2418     2.9397    -0.3318	H	1	noname	0.0649
14	H2     2.2226     0.1299     1.6160	H	1	noname	0.0971
15	H3     1.9860     2.7802    -0.9848	H	1	noname	0.0595
16	H4     2.3152     2.6805     0.7264	H	1	noname	0.0595
17	H5    -1.2845     0.7546     0.5739	H	1	noname	0.0595
18	H6    -0.3476     0.6200    -0.9430	H	1	noname	0.0595
19	H7     3.1923    -1.8472     0.8864	H	1	noname	0.0625
20	H8     0.5225    -2.0381    -1.9933	H	1	noname	0.0309
21	H9     1.0028    -0.4384    -1.3781	H	1	noname	0.0309
22	H10     2.7041    -2.8553    -1.1453	H	1	noname	0.0574
23	H11     2.4392    -2.0088    -3.5661	H	1	noname	0.0267
24	H12     2.9196    -0.4091    -2.9509	H	1	noname	0.0267
25	H13    -0.7887     2.6643     1.8656	H	1	noname	0.2106
26	H14     1.6062    -0.2001    -5.0437	H	1	noname	0.0230
27	H15     0.2564    -1.0771    -4.2842	H	1	noname	0.0230
28	H16     0.7367     0.5226    -3.6689	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	5	1
2	1	6	1
3	2	5	1
4	2	7	1
5	3	4	1
6	3	25	1
7	4	6	1
8	4	7	1
9	4	13	1
10	5	8	1
11	5	14	1
12	6	17	1
13	6	18	1
14	7	15	1
15	7	16	1
16	8	10	2
17	8	19	1
18	9	10	1
19	9	11	1
20	9	20	1
21	9	21	1
22	10	22	1
23	11	12	1
24	11	23	1
25	11	24	1
26	12	26	1
27	12	27	1
28	12	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1