@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3806
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.9247     0.0000    -2.7524	N.1	1	noname	-0.1823
2	C1     2.7456     0.9239    -2.0954	C.1	1	noname	0.0641
3	C2     2.5496     1.9769    -1.3534	C.2	1	noname	-0.0054
4	C3     1.5136     2.0480    -0.3754	C.2	1	noname	0.0179
5	C4     3.3575     3.1029    -1.6233	C.2	1	noname	-0.0189
6	N2     0.6706     0.9931    -0.0644	N.3	1	noname	-0.0169
7	C5     1.3605     3.2710     0.3255	C.2	1	noname	-0.0428
8	C6     3.1695     4.3009    -0.9193	C.2	1	noname	-0.0731
9	C7    -0.6413     1.0421     0.2666	C.2	1	noname	-0.0471
10	C8     0.9985    -0.3218    -0.0063	C.2	1	noname	-0.0318
11	C9     2.1764     4.3820     0.0656	C.2	1	noname	-0.0506
12	C10    -1.0623    -0.2577     0.5426	C.2	1	noname	0.0113
13	C11    -1.5773     2.0971     0.2866	C.2	1	noname	-0.0304
14	N3    -0.0334    -1.0917     0.3766	N.2	1	noname	-0.2287
15	C12    -2.3873    -0.5486     0.9016	C.2	1	noname	-0.0105
16	C13    -2.9143     1.8261     0.6356	C.2	1	noname	-0.0469
17	C14    -3.3143     0.5123     0.9546	C.2	1	noname	-0.0439
18	H1     4.0774     3.0660    -2.3473	H	1	noname	0.0637
19	H2     0.6745     3.3460     1.0725	H	1	noname	0.0642
20	H3     3.7524     5.1139    -1.1203	H	1	noname	0.0623
21	H4     1.9304    -0.6947    -0.1753	H	1	noname	0.1019
22	H5     2.0444     5.2429     0.5956	H	1	noname	0.0623
23	H6    -1.3083     3.0471     0.0326	H	1	noname	0.0643
24	H7    -2.6744    -1.5046     1.1066	H	1	noname	0.0645
25	H8    -3.5983     2.5822     0.6476	H	1	noname	0.0623
26	H9    -4.2853     0.3243     1.2037	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	7	1
7	5	8	2
8	5	18	1
9	6	9	1
10	6	10	1
11	7	11	2
12	7	19	1
13	8	11	1
14	8	20	1
15	9	12	2
16	9	13	1
17	10	14	2
18	10	21	1
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