@<TRIPOS>MOLECULE
119026187
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.9971     1.2189     0.1543	N.2	1	noname	-0.1771
2	N2     3.4267     1.1376     0.0759	N.3	1	noname	-0.1508
3	N3    -2.5965     2.2357    -0.1543	N.2	1	noname	-0.1734
4	C1    -0.0190     0.0139    -0.1354	C.2	1	noname	-0.0016
5	C2     1.3707    -0.0069    -0.1555	C.2	1	noname	-0.0373
6	C3    -0.6924     1.1993     0.1354	C.2	1	noname	-0.0136
7	C4     2.0870     1.1577     0.0952	C.2	1	noname	-0.0105
8	C5    -5.9738     3.4346    -0.4669	C.2	1	noname	-0.0257
9	C6    -6.6806     2.2969    -0.0952	C.2	1	noname	-0.0304
10	C7    -0.7352    -1.1506    -0.3862	C.2	1	noname	-0.0324
11	C8     2.0442    -1.1923    -0.4264	C.2	1	noname	-0.0433
12	C9     0.0238     2.3639     0.3862	C.2	1	noname	-0.0043
13	C10     1.4135     2.3431     0.3661	C.2	1	noname	-0.0474
14	C11    -4.5841     3.4138    -0.4870	C.2	1	noname	0.0078
15	C12    -3.9012     2.2553    -0.1354	C.2	1	noname	0.0154
16	C13    -5.9977     1.1384     0.2564	C.2	1	noname	-0.0302
17	C14    -0.0617    -2.3360    -0.6571	C.2	1	noname	-0.0540
18	C15     1.3280    -2.3569    -0.6772	C.2	1	noname	-0.0553
19	C16    -4.6080     1.1176     0.2363	C.2	1	noname	-0.0010
20	C17    -6.6567     4.5931    -0.8185	C.2	1	noname	-0.0451
21	C18    -8.0703     2.3178    -0.0751	C.2	1	noname	-0.0465
22	C19    -8.0464     4.6140    -0.7984	C.2	1	noname	-0.0567
23	C20    -8.7532     3.4763    -0.4267	C.2	1	noname	-0.0569
24	H1    -1.7550    -1.1354    -0.3714	H	1	noname	0.0629
25	H2     3.0640    -1.2076    -0.4411	H	1	noname	0.0629
26	H3    -0.4704     3.2338     0.5850	H	1	noname	0.0646
27	H4     1.9391     3.1977     0.5501	H	1	noname	0.0640
28	H5    -4.0654     4.2486    -0.7598	H	1	noname	0.0652
29	H6    -6.5164     0.3036     0.5291	H	1	noname	0.0629
30	H7    -0.5873    -3.1906    -0.8411	H	1	noname	0.0622
31	H8     1.8222    -3.2267    -0.8759	H	1	noname	0.0622
32	H9    -4.1069     0.2675     0.4943	H	1	noname	0.0646
33	H10    -6.1380     5.4280    -1.0913	H	1	noname	0.0629
34	H11    -8.5890     1.4829     0.1976	H	1	noname	0.0629
35	H12    -8.5475     5.4641    -1.0565	H	1	noname	0.0622
36	H13    -9.7730     3.4916    -0.4120	H	1	noname	0.0622
37	H14     3.7662     2.0254     0.2693	H	1	noname	0.1243
38	H15     3.7332     0.8582    -0.8010	H	1	noname	0.1243
@<TRIPOS>BOND
1	1	3	2
2	1	6	1
3	2	7	1
4	2	37	1
5	2	38	1
6	3	15	1
7	4	5	1
8	4	6	1
9	4	10	2
10	5	7	1
11	5	11	2
12	6	12	2
13	7	13	2
14	8	9	1
15	8	14	1
16	8	20	2
17	9	16	1
18	9	21	2
19	10	17	1
20	10	24	1
21	11	18	1
22	11	25	1
23	12	13	1
24	12	26	1
25	13	27	1
26	14	15	2
27	14	28	1
28	15	19	1
29	16	19	2
30	16	29	1
31	17	18	2
32	17	30	1
33	18	31	1
34	19	32	1
35	20	22	1
36	20	33	1
37	21	23	1
38	21	34	1
39	22	23	2
40	22	35	1
41	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1