@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3819
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.3196     6.3666     1.2022	N.1	1	noname	-0.1839
2	C1     2.3325     5.3796     0.6142	C.1	1	noname	0.0606
3	C2     2.3455     4.2626    -0.0506	C.2	1	noname	-0.0066
4	C3     1.4594     3.2206     0.2923	C.2	1	noname	-0.0115
5	C4     3.2505     4.0826    -1.1147	C.2	1	noname	-0.0410
6	C5     1.4564     1.9996    -0.4206	C.2	1	noname	-0.0101
7	C6     3.2665     2.8726    -1.8257	C.2	1	noname	-0.0484
8	N2     0.5993     0.9826    -0.0845	N.3	1	noname	-0.0175
9	C7     2.3794     1.8406    -1.4786	C.2	1	noname	-0.0430
10	C8    -0.7057     1.0496     0.2554	C.2	1	noname	-0.0474
11	C9     0.9243    -0.3304    -0.0285	C.2	1	noname	-0.0322
12	C10    -1.1348    -0.2493     0.5255	C.2	1	noname	0.0113
13	C11    -1.6118     2.1257     0.3385	C.2	1	noname	-0.0304
14	N3    -0.1157    -1.0964     0.3465	N.2	1	noname	-0.2288
15	C12    -2.4569    -0.5233     0.9095	C.2	1	noname	-0.0105
16	C13    -2.9429     1.8667     0.7225	C.2	1	noname	-0.0469
17	C14    -3.3620     0.5507     1.0086	C.2	1	noname	-0.0439
18	H1     0.8163     3.3406     1.0774	H	1	noname	0.0656
19	H2     3.9025     4.8247    -1.3786	H	1	noname	0.0636
20	H3     3.9235     2.7417    -2.5957	H	1	noname	0.0623
21	H4     2.4023     0.9696    -2.0096	H	1	noname	0.0642
22	H5     1.8523    -0.7063    -0.2314	H	1	noname	0.1019
23	H6    -1.3188     3.0778     0.1205	H	1	noname	0.0643
24	H7    -2.7549    -1.4783     1.1066	H	1	noname	0.0645
25	H8    -3.6090     2.6368     0.7895	H	1	noname	0.0623
26	H9    -4.3290     0.3747     1.2846	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	3
2	2	3	1
3	3	4	2
4	3	5	1
5	4	6	1
6	4	18	1
7	5	7	2
8	5	19	1
9	6	8	1
10	6	9	2
11	7	9	1
12	7	20	1
13	8	10	1
14	8	11	1
15	9	21	1
16	10	12	2
17	10	13	1
18	11	14	2
19	11	22	1
20	12	15	1
21	12	14	1
22	13	16	2
23	13	23	1
24	15	17	2
25	15	24	1
26	16	17	1
27	16	25	1
28	17	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1