@<TRIPOS>MOLECULE
119026020
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     3.9373    -2.6469     0.9019	N.3	1	noname	-0.2956
2	N2     1.0482     1.3093    -2.1903	N.3	1	noname	-0.0868
3	C1     2.0409    -1.2685     0.2141	C.3	1	noname	0.0231
4	C2     3.5602    -1.4422     0.1645	C.3	1	noname	0.0030
5	C3     1.6643    -0.0654    -0.5223	C.2	1	noname	-0.0355
6	C4     1.5459     1.2221    -0.0227	C.2	1	noname	-0.0328
7	C5     1.1735     2.0648    -1.0900	C.2	1	noname	-0.0899
8	C6     1.3473     0.0315    -1.8783	C.2	1	noname	-0.1260
9	C7     5.3891    -2.8129     0.8545	C.3	1	noname	0.0164
10	C8     3.5062    -2.5217     2.2933	C.3	1	noname	0.0164
11	C9     1.7899     1.7266     1.2840	C.2	1	noname	-0.0400
12	C10     1.0566     3.4745    -0.9291	C.2	1	noname	-0.0441
13	C11     1.6462     3.1412     1.4775	C.2	1	noname	-0.0541
14	C12     1.2961     4.0047     0.3839	C.2	1	noname	-0.0512
15	C13     5.8107    -2.9354    -0.5064	C.2	1	noname	-0.0860
16	C14     3.8751    -3.7001     3.0145	C.2	1	noname	-0.0860
17	C15     3.5813    -3.8078     4.3072	C.2	1	noname	-0.0934
18	C16     7.0998    -3.0961    -0.7913	C.2	1	noname	-0.0934
19	H1     1.5610    -2.1364    -0.2382	H	1	noname	0.0329
20	H2     1.7195    -1.1751     1.2514	H	1	noname	0.0329
21	H3     3.8816    -1.5356    -0.8728	H	1	noname	0.0434
22	H4     4.0400    -0.5742     0.6168	H	1	noname	0.0434
23	H5     1.3426    -0.7483    -2.5358	H	1	noname	0.0792
24	H6     5.6702    -3.7111     1.4043	H	1	noname	0.0474
25	H7     5.8689    -1.9450     1.3068	H	1	noname	0.0474
26	H8     2.4238    -2.3980     2.3286	H	1	noname	0.0474
27	H9     3.9860    -1.6538     2.7456	H	1	noname	0.0474
28	H10     0.7854     1.6292    -3.0675	H	1	noname	0.1522
29	H11     2.0558     1.1093     2.0513	H	1	noname	0.0629
30	H12     0.8135     4.0814    -1.7120	H	1	noname	0.0642
31	H13     1.7947     3.5394     2.4047	H	1	noname	0.0622
32	H14     1.2164     5.0092     0.5424	H	1	noname	0.0623
33	H15     5.1430    -2.9006    -1.2365	H	1	noname	0.0583
34	H16     4.3491    -4.4357     2.5516	H	1	noname	0.0583
35	H17     3.8367    -4.6237     4.8065	H	1	noname	0.0535
36	H18     3.1073    -3.0722     4.7701	H	1	noname	0.0535
37	H19     7.7675    -3.1310    -0.0611	H	1	noname	0.0535
38	H20     7.3917    -3.1810    -1.7334	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	4	1
2	1	9	1
3	1	10	1
4	2	7	1
5	2	8	1
6	2	28	1
7	3	4	1
8	3	5	1
9	3	19	1
10	3	20	1
11	4	21	1
12	4	22	1
13	5	6	1
14	5	8	2
15	6	7	1
16	6	11	2
17	7	12	2
18	8	23	1
19	9	15	1
20	9	24	1
21	9	25	1
22	10	16	1
23	10	26	1
24	10	27	1
25	11	13	1
26	11	29	1
27	12	14	1
28	12	30	1
29	13	14	2
30	13	31	1
31	14	32	1
32	15	18	2
33	15	33	1
34	16	17	2
35	16	34	1
36	17	35	1
37	17	36	1
38	18	37	1
39	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1