@<TRIPOS>MOLECULE
50396324
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     4.7126     0.2364    -2.0244	N.2	1	noname	-0.2512
2	C1     4.0099     1.2557    -1.4327	C.2	1	noname	0.0424
3	C2     4.2419    -1.0324    -2.2212	C.2	1	noname	0.0570
4	N2     4.5617     2.4708    -1.3116	N.3	1	noname	-0.1078
5	C3     2.6995     1.0191    -0.9505	C.2	1	noname	-0.0041
6	N3     2.9771    -1.2698    -1.7553	N.2	1	noname	-0.2577
7	C4     5.0349    -2.0640    -2.8834	C.3	1	noname	0.0672
8	C5     5.7385     2.3778    -0.5405	C.3	1	noname	-0.0101
9	C6     2.2185    -0.3172    -1.1124	C.2	1	noname	0.0358
10	C7     0.9387    -0.6853    -0.6143	C.2	1	noname	-0.0747
11	N4     0.2700    -0.1326     0.4172	N.3	1	noname	-0.0701
12	C8     0.0441    -1.6646    -1.0833	C.2	1	noname	0.0698
13	N5     0.6716     0.7957     1.2795	N.2	1	noname	-0.2709
14	C9    -0.9720    -0.6952     0.4878	C.2	1	noname	0.0385
15	N6    -1.1221    -1.6421    -0.4207	N.2	1	noname	-0.1872
16	N7     0.1282    -2.4407    -2.1930	N.3	1	noname	0.0254
17	C10    -0.1357     1.2273     2.3099	C.2	1	noname	0.0197
18	C11    -1.8879    -0.2938     1.4822	C.2	1	noname	0.0258
19	C12    -0.3862    -2.0139    -3.3755	C.2	1	noname	-0.0431
20	C13    -1.4431     0.6756     2.4159	C.2	1	noname	0.0299
21	N8    -0.4009    -2.7594    -4.4858	N.3	1	noname	-0.0211
22	C14    -0.9407    -0.7749    -3.7120	C.2	1	noname	-0.0077
23	N9    -0.9063    -2.0881    -5.4536	N.2	1	noname	-0.3307
24	C15    -1.2548    -0.8568    -5.0511	C.2	1	noname	0.0107
25	H1     4.1644     3.3023    -1.7249	H	1	noname	0.1292
26	H2     2.1050     1.8074    -0.4887	H	1	noname	0.0679
27	H3     5.5164    -2.6902    -2.1323	H	1	noname	0.0312
28	H4     4.3847    -2.6784    -3.5061	H	1	noname	0.0312
29	H5     5.7958    -1.5935    -3.5061	H	1	noname	0.0312
30	H6     5.4815     2.3981     0.5185	H	1	noname	0.0396
31	H7     6.2518     1.4446    -0.7720	H	1	noname	0.0396
32	H8     6.3920     3.2190    -0.7720	H	1	noname	0.0396
33	H9     0.5775    -3.3436    -2.1384	H	1	noname	0.1371
34	H10     0.2430     1.9720     3.0099	H	1	noname	0.0856
35	H11    -2.8929    -0.7133     1.5269	H	1	noname	0.0660
36	H12    -2.1079     0.9975     3.2175	H	1	noname	0.0640
37	H13    -0.0719    -3.7095    -4.5815	H	1	noname	0.1765
38	H14    -1.0971     0.0843    -3.0598	H	1	noname	0.0670
39	H15    -1.6994    -0.0852    -5.6797	H	1	noname	0.0857
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	1
8	5	9	2
9	6	9	1
10	9	10	1
11	10	11	1
12	10	12	2
13	11	13	1
14	11	14	1
15	12	15	1
16	12	16	1
17	13	17	2
18	14	18	1
19	14	15	2
20	16	19	1
21	17	20	1
22	18	20	2
23	19	21	1
24	19	22	2
25	21	23	1
26	22	24	1
27	23	24	2
28	4	25	1
29	5	26	1
30	7	27	1
31	7	28	1
32	7	29	1
33	8	30	1
34	8	31	1
35	8	32	1
36	16	33	1
37	17	34	1
38	18	35	1
39	20	36	1
40	21	37	1
41	22	38	1
42	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1