@<TRIPOS>MOLECULE
71306395
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1     0.2051     1.6110     0.5374	C.3	1	noname	-0.0171
2	C2    -0.0630     3.1236     0.7007	C.3	1	noname	-0.0427
3	C3    -0.9324     0.8370     1.2130	C.3	1	noname	-0.0282
4	C4    -0.4874     3.9200    -0.5610	C.3	1	noname	-0.0317
5	C5     1.4467     1.2766     1.1631	C.2	1	noname	-0.0849
6	C6    -1.7712     3.4628    -1.0113	C.2	1	noname	-0.0800
7	C7    -1.4796    -0.2111     0.3844	C.2	1	noname	-0.0821
8	C8    -3.4167     0.9061    -0.8393	C.3	1	noname	-0.0288
9	C9    -2.5183    -0.1837    -0.4729	C.2	1	noname	-0.0797
10	C10    -2.9787     1.6649    -2.1203	C.3	1	noname	-0.0311
11	C11    -1.7905     2.3906    -1.7995	C.2	1	noname	-0.0824
12	C12     2.6627     1.3298     0.4126	C.3	1	noname	-0.0439
13	C13    -2.9770     4.1302    -0.6297	C.3	1	noname	-0.0439
14	C14    -2.7838    -1.4252    -1.1311	C.3	1	noname	-0.0439
15	C15     1.4704     0.9163     2.4431	C.2	1	noname	-0.0919
16	H1     0.2312     1.3207    -0.5129	H	1	noname	0.0351
17	H2    -0.7960     3.2793     1.4922	H	1	noname	0.0276
18	H3     0.8943     3.5550     0.9934	H	1	noname	0.0276
19	H4    -1.7259     1.5292     1.4946	H	1	noname	0.0316
20	H5    -0.4808     0.4036     2.1054	H	1	noname	0.0316
21	H6    -0.5440     4.9812    -0.3189	H	1	noname	0.0312
22	H7     0.2715     3.7083    -1.3143	H	1	noname	0.0312
23	H8    -1.0204    -1.0850     0.4576	H	1	noname	0.0575
24	H9    -4.4252     0.5156    -0.9752	H	1	noname	0.0315
25	H10    -3.3444     1.6461    -0.0422	H	1	noname	0.0315
26	H11    -3.7623     2.3629    -2.4150	H	1	noname	0.0313
27	H12    -2.8020     0.9055    -2.8820	H	1	noname	0.0313
28	H13    -0.9337     2.0784    -2.1849	H	1	noname	0.0575
29	H14     2.5994     0.6423    -0.4309	H	1	noname	0.0276
30	H15     2.8182     2.3437     0.0441	H	1	noname	0.0276
31	H16     3.4974     1.0438     1.0525	H	1	noname	0.0276
32	H17    -2.9455     5.1634    -0.9757	H	1	noname	0.0276
33	H18    -3.8309     3.6226    -1.0785	H	1	noname	0.0276
34	H19    -3.0737     4.1134     0.4558	H	1	noname	0.0276
35	H20    -3.7941    -1.7556    -0.8898	H	1	noname	0.0276
36	H21    -2.6930    -1.2915    -2.2091	H	1	noname	0.0276
37	H22    -2.0667    -2.1746    -0.7963	H	1	noname	0.0276
38	H23     2.3300     0.6848     2.8763	H	1	noname	0.0537
39	H24     0.6285     0.8795     2.9627	H	1	noname	0.0537
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	5	1
4	1	16	1
5	2	4	1
6	2	17	1
7	2	18	1
8	3	7	1
9	3	19	1
10	3	20	1
11	4	6	1
12	4	21	1
13	4	22	1
14	5	12	1
15	5	15	2
16	6	11	2
17	6	13	1
18	7	9	2
19	7	23	1
20	8	9	1
21	8	10	1
22	8	24	1
23	8	25	1
24	9	14	1
25	10	11	1
26	10	26	1
27	10	27	1
28	11	28	1
29	12	29	1
30	12	30	1
31	12	31	1
32	13	32	1
33	13	33	1
34	13	34	1
35	14	35	1
36	14	36	1
37	14	37	1
38	15	38	1
39	15	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1