@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3794
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.0000    -1.0432     0.5215	N.2	1	noname	-0.2288
2	C1    -1.0529    -0.2202     0.5695	C.2	1	noname	0.0113
3	C2     1.0438    -0.2682     0.1765	C.2	1	noname	-0.0322
4	C3    -0.6410     1.0727     0.2495	C.2	1	noname	-0.0474
5	C4    -2.3889    -0.5091     0.8895	C.2	1	noname	-0.0105
6	N2     0.6838     1.0237    -0.0053	N.3	1	noname	-0.0175
7	C5    -1.5660     2.1347     0.2656	C.2	1	noname	-0.0304
8	C6    -3.3209     0.5467     0.8905	C.2	1	noname	-0.0439
9	C7     1.5278     2.0407    -0.3773	C.2	1	noname	-0.0236
10	C8    -2.9109     1.8607     0.5846	C.2	1	noname	-0.0469
11	C9     2.8327     2.1237     0.1606	C.2	1	noname	-0.0547
12	C10     1.1318     3.0157    -1.3212	C.2	1	noname	-0.0547
13	C11     3.7066     3.1567    -0.2182	C.2	1	noname	-0.0619
14	C12     2.0037     4.0496    -1.7021	C.2	1	noname	-0.0619
15	C13     3.2916     4.1217    -1.1491	C.2	1	noname	-0.0850
16	H1     1.9917    -0.6281     0.0556	H	1	noname	0.1019
17	H2    -2.6759    -1.4611     1.1185	H	1	noname	0.0645
18	H3    -1.2751     3.0897     0.0586	H	1	noname	0.0643
19	H4    -4.2979     0.3598     1.1196	H	1	noname	0.0623
20	H5    -3.5929     2.6197     0.5967	H	1	noname	0.0623
21	H6     3.1496     1.4338     0.8426	H	1	noname	0.0642
22	H7     0.2068     2.9677    -1.7491	H	1	noname	0.0642
23	H8     4.6435     3.2057     0.1837	H	1	noname	0.0623
24	H9     1.7017     4.7446    -2.3861	H	1	noname	0.0623
25	H10     3.9245     4.8717    -1.4250	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	2
4	2	5	1
5	3	6	1
6	3	16	1
7	4	7	1
8	4	6	1
9	5	8	2
10	5	17	1
11	6	9	1
12	7	10	2
13	7	18	1
14	8	10	1
15	8	19	1
16	9	11	2
17	9	12	1
18	10	20	1
19	11	13	1
20	11	21	1
21	12	14	2
22	12	22	1
23	13	15	2
24	13	23	1
25	14	15	1
26	14	24	1
27	15	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1