@<TRIPOS>MOLECULE
117587641
42 43 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.3334    -3.8170     0.1508	N.3	1	noname	0.0000
2	N2    -1.1824    -3.5348    -2.3441	N.3	1	noname	0.0000
3	C1    -1.0338    -4.0064     0.6925	C.3	1	noname	0.0000
4	C2     0.5461    -2.6316    -0.7117	C.3	1	noname	0.0000
5	C3     1.2954    -3.7977     1.2516	C.3	1	noname	0.0000
6	C4     0.5652    -4.9701    -0.7176	C.3	1	noname	0.0000
7	C5    -2.1935    -4.2760    -0.2908	C.3	1	noname	0.0000
8	C6     0.1227    -2.9302    -2.1688	C.3	1	noname	0.0000
9	C7    -2.2954    -3.2589    -1.4525	C.3	1	noname	0.0000
10	C8     0.9595    -2.6468     2.2022	C.3	1	noname	0.0000
11	C9     0.4592    -6.2566     0.1037	C.3	1	noname	0.0000
12	C10    -1.4170    -4.3367    -3.4331	C.2	1	noname	0.0000
13	C11    -1.5647    -3.6843    -4.7154	C.2	1	noname	0.0000
14	C12    -1.6055    -5.7643    -3.3080	C.2	1	noname	0.0000
15	C13    -1.9491    -4.4364    -5.8549	C.2	1	noname	0.0000
16	C14    -1.9900    -6.5273    -4.4579	C.2	1	noname	0.0000
17	C15    -2.1642    -5.8492    -5.7007	C.2	1	noname	0.0000
18	H1    -1.2903    -3.1635     1.3344	H	1	noname	0.0000
19	H2    -1.0106    -4.8849     1.3373	H	1	noname	0.0000
20	H3    -0.0368    -1.7941    -0.3284	H	1	noname	0.0000
21	H4     1.5997    -2.3529    -0.7311	H	1	noname	0.0000
22	H5     1.2467    -4.7423     1.7933	H	1	noname	0.0000
23	H6     2.3004    -3.6585     0.8534	H	1	noname	0.0000
24	H7    -0.1817    -4.9832    -1.5113	H	1	noname	0.0000
25	H8     1.5606    -4.9002    -1.1564	H	1	noname	0.0000
26	H9    -3.1360    -4.2983     0.2563	H	1	noname	0.0000
27	H10    -1.9794    -5.2401    -0.7521	H	1	noname	0.0000
28	H11     0.1817    -2.0157    -2.7590	H	1	noname	0.0000
29	H12     0.8298    -3.6192    -2.6307	H	1	noname	0.0000
30	H13    -3.2340    -3.4093    -1.9858	H	1	noname	0.0000
31	H14    -2.2313    -2.2677    -1.0038	H	1	noname	0.0000
32	H15     1.6767    -2.6324     3.0229	H	1	noname	0.0000
33	H16     0.6321    -7.1163    -0.5437	H	1	noname	0.0000
34	H17    -0.5361    -6.3265     0.5425	H	1	noname	0.0000
35	H18     1.2061    -6.2436     0.8975	H	1	noname	0.0000
36	H19    -0.0456    -2.7860     2.6004	H	1	noname	0.0000
37	H20     1.0081    -1.7022     1.6605	H	1	noname	0.0000
38	H21    -1.3922    -2.6826    -4.8004	H	1	noname	0.0000
39	H22    -1.4659    -6.2246    -2.4085	H	1	noname	0.0000
40	H23    -2.0701    -3.9855    -6.7618	H	1	noname	0.0000
41	H24    -2.1361    -7.5344    -4.3894	H	1	noname	0.0000
42	H25    -2.4539    -6.3903    -6.5153	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	3	1
2	1	4	1
3	1	5	1
4	1	6	1
5	2	8	1
6	2	9	1
7	2	12	1
8	3	7	1
9	3	18	1
10	3	19	1
11	4	8	1
12	4	20	1
13	4	21	1
14	5	10	1
15	5	22	1
16	5	23	1
17	6	11	1
18	6	24	1
19	6	25	1
20	7	9	1
21	7	26	1
22	7	27	1
23	8	28	1
24	8	29	1
25	9	30	1
26	9	31	1
27	10	32	1
28	10	36	1
29	10	37	1
30	11	33	1
31	11	34	1
32	11	35	1
33	12	13	2
34	12	14	1
35	13	15	1
36	13	38	1
37	14	16	2
38	14	39	1
39	15	17	2
40	15	40	1
41	16	17	1
42	16	41	1
43	17	42	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1