@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3789
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.2610     0.5220     1.3055	N.2	1	noname	-0.2270
2	C1     0.8649     1.7181     1.4905	C.2	1	noname	-0.0259
3	C2    -1.0250     0.7811     1.0255	C.2	1	noname	0.0077
4	N2    -0.0340     2.7102     1.3285	N.3	1	noname	-0.0335
5	C3     2.2289     1.8981     1.8055	C.2	1	noname	-0.0228
6	C4    -1.2141     2.1571     1.0385	C.2	1	noname	-0.0631
7	C5    -2.0881    -0.0908     0.7485	C.2	1	noname	-0.0108
8	C6     3.0859     0.7851     1.9546	C.2	1	noname	-0.0310
9	C7     2.7669     3.1942     1.9766	C.2	1	noname	-0.0310
10	C8    -2.4692     2.7292     0.7786	C.2	1	noname	-0.0358
11	C9    -3.3581     0.4641     0.4846	C.2	1	noname	-0.0440
12	C10     4.4449     0.9622     2.2676	C.2	1	noname	-0.0513
13	C11     4.1259     3.3712     2.2886	C.2	1	noname	-0.0513
14	C12    -3.5462     1.8642     0.4986	C.2	1	noname	-0.0477
15	C13     4.9648     2.2563     2.4337	C.2	1	noname	-0.0528
16	H1     0.1448     3.6592     1.4076	H	1	noname	0.1543
17	H2    -1.9461    -1.1018     0.7396	H	1	noname	0.0645
18	H3     2.7268    -0.1637     1.8366	H	1	noname	0.0630
19	H4     2.1738     4.0193     1.8746	H	1	noname	0.0630
20	H5    -2.5972     3.7413     0.7907	H	1	noname	0.0643
21	H6    -4.1462    -0.1507     0.2806	H	1	noname	0.0623
22	H7     5.0538     0.1502     2.3727	H	1	noname	0.0622
23	H8     4.5029     4.3123     2.4097	H	1	noname	0.0622
24	H9    -4.4703     2.2523     0.3057	H	1	noname	0.0623
25	H10     5.9518     2.3843     2.6607	H	1	noname	0.0622
@<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	6	1
8	4	16	1
9	5	8	2
10	5	9	1
11	6	10	1
12	7	11	2
13	7	17	1
14	8	12	1
15	8	18	1
16	9	13	2
17	9	19	1
18	10	14	2
19	10	20	1
20	11	14	1
21	11	21	1
22	12	15	2
23	12	22	1
24	13	15	1
25	13	23	1
26	14	24	1
27	15	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1