@<TRIPOS>MOLECULE
71586800
41 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     3.6659    -1.4683    -0.0222	N.3	1	noname	0.0000
2	C1     2.5498    -0.8065    -0.6959	C.3	1	noname	0.0000
3	C2     1.4562    -0.4852     0.3247	C.3	1	noname	0.0000
4	C3     4.7109    -1.7754    -0.9974	C.3	1	noname	0.0000
5	C4     0.2882     0.2074    -0.3803	C.3	1	noname	0.0000
6	C5     3.1965    -2.7075     0.5956	C.3	1	noname	0.0000
7	C6     4.2063    -0.5840     1.0090	C.3	1	noname	0.0000
8	C7    -0.8054     0.5287     0.6403	C.3	1	noname	0.0000
9	C8    -1.9733     1.2213    -0.0647	C.3	1	noname	0.0000
10	C9     5.2021    -0.4786    -1.6439	C.3	1	noname	0.0000
11	C10    -3.0670     1.5426     0.9559	C.3	1	noname	0.0000
12	C11    -4.2349     2.2352     0.2508	C.3	1	noname	0.0000
13	C12    -5.3286     2.5565     1.2714	C.3	1	noname	0.0000
14	H1     2.1470    -1.4659    -1.4647	H	1	noname	0.0000
15	H2     2.8998     0.1174    -1.1565	H	1	noname	0.0000
16	H3     1.1063    -1.4091     0.7853	H	1	noname	0.0000
17	H4     1.8591     0.1741     1.0935	H	1	noname	0.0000
18	H5     4.3080    -2.4347    -1.7662	H	1	noname	0.0000
19	H6     5.5430    -2.2688    -0.4952	H	1	noname	0.0000
20	H7    -0.1146    -0.4519    -1.1491	H	1	noname	0.0000
21	H8     0.6382     1.1313    -0.8409	H	1	noname	0.0000
22	H9     4.0286    -3.2009     1.0978	H	1	noname	0.0000
23	H10     2.4174    -2.4786     1.3226	H	1	noname	0.0000
24	H11     2.7937    -3.3669    -0.1733	H	1	noname	0.0000
25	H12     5.0383    -1.0774     1.5113	H	1	noname	0.0000
26	H13     3.4271    -0.3551     1.7361	H	1	noname	0.0000
27	H14     4.5562     0.3399     0.5484	H	1	noname	0.0000
28	H15    -1.1553    -0.3952     1.1008	H	1	noname	0.0000
29	H16    -0.4025     1.1881     1.4091	H	1	noname	0.0000
30	H17    -2.3762     0.5620    -0.8336	H	1	noname	0.0000
31	H18    -1.6234     2.1452    -0.5253	H	1	noname	0.0000
32	H19     5.9812    -0.7075    -2.3710	H	1	noname	0.0000
33	H20     4.3700     0.0149    -2.1462	H	1	noname	0.0000
34	H21     5.6050     0.1808    -0.8751	H	1	noname	0.0000
35	H22    -3.4169     0.6188     1.4164	H	1	noname	0.0000
36	H23    -2.6641     2.2020     1.7247	H	1	noname	0.0000
37	H24    -4.6378     1.5759    -0.5180	H	1	noname	0.0000
38	H25    -3.8850     3.1591    -0.2097	H	1	noname	0.0000
39	H26    -6.1606     3.0500     0.7692	H	1	noname	0.0000
40	H27    -5.6785     1.6327     1.7320	H	1	noname	0.0000
41	H28    -4.9257     3.2159     2.0402	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	2	1
2	1	4	1
3	1	6	1
4	1	7	1
5	2	3	1
6	2	14	1
7	2	15	1
8	3	5	1
9	3	16	1
10	3	17	1
11	4	10	1
12	4	18	1
13	4	19	1
14	5	8	1
15	5	20	1
16	5	21	1
17	6	22	1
18	6	23	1
19	6	24	1
20	7	25	1
21	7	26	1
22	7	27	1
23	8	9	1
24	8	28	1
25	8	29	1
26	9	11	1
27	9	30	1
28	9	31	1
29	10	32	1
30	10	33	1
31	10	34	1
32	11	12	1
33	11	35	1
34	11	36	1
35	12	13	1
36	12	37	1
37	12	38	1
38	13	39	1
39	13	40	1
40	13	41	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1