@<TRIPOS>MOLECULE
71587334
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1     4.1909    -0.8829     0.7888	C.3	1	noname	-0.0527
2	C2     3.3628    -0.3457    -0.3802	C.3	1	noname	-0.0350
3	C3     5.6369    -0.4018     0.6531	C.3	1	noname	-0.0651
4	C4     2.0113    -0.7953    -0.2534	C.2	1	noname	-0.0778
5	C5     1.0234     0.0889    -0.1480	C.2	1	noname	-0.0705
6	C6    -0.2336    -0.3293    -0.0300	C.2	1	noname	-0.0645
7	C7    -1.2215     0.5549     0.0754	C.2	1	noname	-0.0627
8	C8    -0.9524     1.8573     0.0629	C.2	1	noname	-0.0629
9	C9    -1.9403     2.7415     0.1683	C.2	1	noname	-0.0662
10	C10    -1.6712     4.0440     0.1557	C.2	1	noname	-0.0761
11	C11    -2.6591     4.9282     0.2611	C.2	1	noname	-0.0882
12	H1     3.7733    -0.5187     1.7275	H	1	noname	0.0267
13	H2     4.1681    -1.9727     0.7796	H	1	noname	0.0267
14	H3     3.3856     0.7441    -0.3710	H	1	noname	0.0309
15	H4     3.7804    -0.7099    -1.3189	H	1	noname	0.0309
16	H5     6.2268    -0.7846     1.4860	H	1	noname	0.0230
17	H6     5.6596     0.6879     0.6624	H	1	noname	0.0230
18	H7     6.0544    -0.7660    -0.2855	H	1	noname	0.0230
19	H8     1.8110    -1.7648    -0.2440	H	1	noname	0.0575
20	H9     1.2237     1.0584    -0.1573	H	1	noname	0.0619
21	H10    -0.4339    -1.2988    -0.0207	H	1	noname	0.0622
22	H11    -2.1572     0.2436     0.1632	H	1	noname	0.0622
23	H12    -0.0168     2.1686    -0.0249	H	1	noname	0.0622
24	H13    -2.8760     2.4302     0.2560	H	1	noname	0.0622
25	H14    -0.7356     4.3553     0.0679	H	1	noname	0.0616
26	H15    -2.4588     5.8976     0.2518	H	1	noname	0.0537
27	H16    -3.5948     4.6169     0.3489	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