@<TRIPOS>MOLECULE
50396326
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     4.8714    -0.0136    -2.0789	N.2	1	noname	-0.2527
2	C1     4.3756     1.0543    -1.3742	C.2	1	noname	0.0412
3	C2     4.1860    -1.1665    -2.3453	C.2	1	noname	0.0566
4	N2     5.1287     2.1475    -1.1917	N.3	1	noname	-0.1158
5	C3     3.0650     0.9971    -0.8405	C.2	1	noname	-0.0055
6	N3     2.9195    -1.2306    -1.8304	N.2	1	noname	-0.2585
7	C4     4.7659    -2.2554    -3.1262	C.3	1	noname	0.0671
8	C5     2.3595    -0.2234    -1.0767	C.2	1	noname	0.0354
9	C6     1.0575    -0.4162    -0.5388	C.2	1	noname	-0.0747
10	N4     0.5346     0.1506     0.5666	N.3	1	noname	-0.0701
11	C7    -0.0079    -1.1920    -1.0312	C.2	1	noname	0.0698
12	N5     1.1220     0.9244     1.4735	N.2	1	noname	-0.2709
13	C8    -0.7805    -0.2037     0.6620	C.2	1	noname	0.0384
14	N6    -1.1252    -1.0335    -0.3061	N.2	1	noname	-0.1872
15	N7    -0.1015    -1.8755    -2.1994	N.3	1	noname	0.0254
16	C9     0.4421     1.3951     2.5762	C.2	1	noname	0.0197
17	C10    -1.5739     0.2582     1.7325	C.2	1	noname	0.0258
18	C11    -0.5849    -1.2723    -3.3163	C.2	1	noname	-0.0431
19	C12    -0.9340     1.0593     2.7114	C.2	1	noname	0.0299
20	N8    -0.7707    -1.9094    -4.4775	N.3	1	noname	-0.0211
21	C13    -0.9360     0.0649    -3.5272	C.2	1	noname	-0.0077
22	N9    -1.1952    -1.0853    -5.3626	N.2	1	noname	-0.3307
23	C14    -1.3143     0.1485    -4.8495	C.2	1	noname	0.0107
24	H1     6.1329     2.0632    -1.1229	H	1	noname	0.1257
25	H2     4.6923     3.0557    -1.1229	H	1	noname	0.1257
26	H3     2.6313     1.8310    -0.2885	H	1	noname	0.0679
27	H4     5.1686    -3.0114    -2.4521	H	1	noname	0.0312
28	H5     3.9955    -2.7022    -3.7546	H	1	noname	0.0312
29	H6     5.5666    -1.8654    -3.7546	H	1	noname	0.0312
30	H7     0.1911    -2.8414    -2.2380	H	1	noname	0.1371
31	H8     0.9695     2.0059     3.3089	H	1	noname	0.0856
32	H9    -2.6325     0.0076     1.8001	H	1	noname	0.0660
33	H10    -1.5015     1.4180     3.5701	H	1	noname	0.0640
34	H11    -0.6107    -2.8893    -4.6627	H	1	noname	0.1765
35	H12    -0.9184     0.8804    -2.8041	H	1	noname	0.0670
36	H13    -1.6481     1.0326    -5.3926	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	5	8	2
8	6	8	1
9	8	9	1
10	9	10	1
11	9	11	2
12	10	12	1
13	10	13	1
14	11	14	1
15	11	15	1
16	12	16	2
17	13	17	1
18	13	14	2
19	15	18	1
20	16	19	1
21	17	19	2
22	18	20	1
23	18	21	2
24	20	22	1
25	21	23	1
26	22	23	2
27	4	24	1
28	4	25	1
29	5	26	1
30	7	27	1
31	7	28	1
32	7	29	1
33	15	30	1
34	16	31	1
35	17	32	1
36	19	33	1
37	20	34	1
38	21	35	1
39	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1