@<TRIPOS>MOLECULE
71587856
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4555    -2.1144    -2.0162	O.3	1	noname	-0.3434
2	O2    -2.3641    -3.3717    -0.1261	O.3	1	noname	-0.3461
3	C1    -2.9688    -3.3825    -2.3988	C.3	1	noname	0.0817
4	C2    -2.8877    -4.2408    -1.1334	C.3	1	noname	0.0763
5	C3    -2.6259    -2.0470    -0.6035	C.3	1	noname	0.1774
6	C4    -2.0760    -3.9879    -3.4838	C.3	1	noname	-0.0363
7	C5    -1.6773    -1.1222    -0.0607	C.2	1	noname	-0.0359
8	C6    -1.7468    -0.6268     1.1880	C.2	1	noname	-0.0398
9	C7    -0.8814     0.2911     1.7238	C.2	1	noname	-0.0449
10	C8     0.3947     0.6315     1.1372	C.2	1	noname	-0.0512
11	C9    -1.3636     0.9748     2.8925	C.2	1	noname	-0.0512
12	C10     1.1724     1.6889     1.7043	C.2	1	noname	-0.0590
13	C11    -0.5874     2.0372     3.4573	C.2	1	noname	-0.0590
14	C12     0.6605     2.3780     2.8479	C.2	1	noname	-0.0622
15	H1    -4.0135    -3.2723    -2.6896	H	1	noname	0.0625
16	H2    -3.8889    -4.5647    -0.8492	H	1	noname	0.0594
17	H3    -2.2190    -5.0943    -1.2453	H	1	noname	0.0594
18	H4    -3.6460    -1.6962    -0.3828	H	1	noname	0.0971
19	H5    -2.4699    -4.9609    -3.7774	H	1	noname	0.0257
20	H6    -2.0581    -3.3267    -4.3502	H	1	noname	0.0257
21	H7    -1.0641    -4.1073    -3.0969	H	1	noname	0.0257
22	H8    -0.9273    -0.8306    -0.6374	H	1	noname	0.0629
23	H9    -2.4820    -0.9512     1.7663	H	1	noname	0.0627
24	H10     0.7384     0.1208     0.3239	H	1	noname	0.0628
25	H11    -2.2515     0.7054     3.3161	H	1	noname	0.0628
26	H12     2.0734     1.9463     1.3015	H	1	noname	0.0622
27	H13    -0.9186     2.5418     4.2796	H	1	noname	0.0622
28	H14     1.2069     3.1425     3.2445	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