@<TRIPOS>MOLECULE
71586765
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.7112    -0.9865    -3.7385	O.3	1	noname	0.0000
2	N1     0.2238     0.4279     0.5014	N.2	1	noname	0.0000
3	N2    -2.9382    -3.1422     1.0392	N.2	1	noname	0.0000
4	N3    -2.5223    -2.2438    -1.1160	N.2	1	noname	0.0000
5	N4    -1.8346    -2.3312     2.9493	N.3	1	noname	0.0000
6	C1     1.2997     0.0162    -0.1342	C.2	1	noname	0.0000
7	C2     1.8294     0.7502    -1.1283	C.2	1	noname	0.0000
8	C3    -0.3613    -0.4002     1.4285	C.3	1	noname	0.0000
9	C4     2.9891     0.3009    -1.8340	C.3	1	noname	0.0000
10	C5    -0.3826     1.5364     0.1961	C.2	1	noname	0.0000
11	C6    -1.3355    -1.3479     0.8303	C.2	1	noname	0.0000
12	C7     1.2290     1.9406    -1.4480	C.2	1	noname	0.0000
13	C8     1.9110    -1.2226     0.2355	C.3	1	noname	0.0000
14	C9     0.1157     2.3357    -0.7985	C.2	1	noname	0.0000
15	C10     2.5596    -0.5403    -3.0377	C.3	1	noname	0.0000
16	C11    -2.0416    -2.2839     1.6263	C.2	1	noname	0.0000
17	C12    -1.6261    -1.3779    -0.5696	C.2	1	noname	0.0000
18	C13    -3.1841    -3.1313    -0.3135	C.2	1	noname	0.0000
19	C14    -4.1479    -4.0637    -0.8908	C.3	1	noname	0.0000
20	H1    -0.8594     0.2007     2.1894	H	1	noname	0.0000
21	H2     0.3780    -1.0328     1.9198	H	1	noname	0.0000
22	H3     3.6069    -0.3038    -1.1700	H	1	noname	0.0000
23	H4     3.5613     1.1623    -2.1783	H	1	noname	0.0000
24	H5    -1.2033     1.8026     0.6816	H	1	noname	0.0000
25	H6     1.6145     2.5122    -2.1584	H	1	noname	0.0000
26	H7     1.4754    -2.0318    -0.3506	H	1	noname	0.0000
27	H8     1.7409    -1.4095     1.2958	H	1	noname	0.0000
28	H9     2.9826    -1.1707     0.0431	H	1	noname	0.0000
29	H10    -0.3326     3.1860    -1.0356	H	1	noname	0.0000
30	H11     1.9418     0.0644    -3.7016	H	1	noname	0.0000
31	H12     1.9874    -1.4017    -2.6933	H	1	noname	0.0000
32	H13    -1.1416    -0.7233    -1.1838	H	1	noname	0.0000
33	H14    -2.3929    -3.0219     3.3394	H	1	noname	0.0000
34	H15    -2.0592    -1.4735     3.3426	H	1	noname	0.0000
35	H16     3.4361    -1.5252    -4.5095	H	1	noname	0.0000
36	H17    -5.1282    -3.8954    -0.4450	H	1	noname	0.0000
37	H18    -4.2065    -3.9054    -1.9677	H	1	noname	0.0000
38	H19    -3.8286    -5.0866    -0.6908	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	15	1
2	1	35	1
3	2	6	1
4	2	8	1
5	2	10	2
6	3	16	2
7	3	18	1
8	4	17	1
9	4	18	2
10	5	16	1
11	5	33	1
12	5	34	1
13	6	7	2
14	6	13	1
15	7	9	1
16	7	12	1
17	8	11	1
18	8	20	1
19	8	21	1
20	9	15	1
21	9	22	1
22	9	23	1
23	10	14	1
24	10	24	1
25	11	16	1
26	11	17	2
27	12	14	2
28	12	25	1
29	13	26	1
30	13	27	1
31	13	28	1
32	14	29	1
33	15	30	1
34	15	31	1
35	17	32	1
36	18	19	1
37	19	36	1
38	19	37	1
39	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1