@<TRIPOS>MOLECULE
71587336
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1     1.2253    -3.0714     0.0000	C.3	1	noname	-0.0527
2	C2     2.4533    -2.1435     0.0000	C.3	1	noname	-0.0350
3	C3     1.6880    -4.5298     0.0000	C.3	1	noname	-0.0651
4	C4     2.5235    -0.6689     0.0000	C.2	1	noname	-0.0778
5	C5     1.5984     0.3171    -0.0000	C.2	1	noname	-0.0705
6	C6     0.2670     0.1228    -0.0000	C.2	1	noname	-0.0645
7	C7    -0.7293     1.0287    -0.0000	C.2	1	noname	-0.0627
8	C8    -2.0305     0.6328     0.0000	C.2	1	noname	-0.0629
9	C9    -3.0601     1.4654    -0.0000	C.2	1	noname	-0.0662
10	C10    -4.3015     0.9879    -0.0000	C.2	1	noname	-0.0761
11	C11    -5.3357     1.8241    -0.0000	C.2	1	noname	-0.0882
12	H1     0.6256    -2.8805    -0.8900	H	1	noname	0.0267
13	H2     0.6256    -2.8805     0.8900	H	1	noname	0.0267
14	H3     3.2108    -2.5432    -0.6742	H	1	noname	0.0309
15	H4     2.9571    -2.3911     0.9343	H	1	noname	0.0309
16	H5     0.8183    -5.1869     0.0000	H	1	noname	0.0230
17	H6     2.2876    -4.7207    -0.8900	H	1	noname	0.0230
18	H7     2.2876    -4.7207     0.8900	H	1	noname	0.0230
19	H8     3.4498    -0.3575    -0.0000	H	1	noname	0.0575
20	H9     1.9365     1.2631    -0.0000	H	1	noname	0.0619
21	H10    -0.0464    -0.8019    -0.0000	H	1	noname	0.0622
22	H11    -0.5305     2.0075     0.0000	H	1	noname	0.0622
23	H12    -2.2727    -0.3369     0.0000	H	1	noname	0.0622
24	H13    -2.9060     2.4433    -0.0000	H	1	noname	0.0622
25	H14    -4.4556     0.0099     0.0000	H	1	noname	0.0616
26	H15    -5.1815     2.8020    -0.0000	H	1	noname	0.0537
27	H16    -6.2597     1.4687    -0.0000	H	1	noname	0.0537
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	12	1
4	1	13	1
5	2	4	1
6	2	14	1
7	2	15	1
8	3	16	1
9	3	17	1
10	3	18	1
11	4	5	2
12	4	19	1
13	5	6	1
14	5	20	1
15	6	7	2
16	6	21	1
17	7	8	1
18	7	22	1
19	8	9	2
20	8	23	1
21	9	10	1
22	9	24	1
23	10	11	2
24	10	25	1
25	11	26	1
26	11	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1