@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440371
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    23.7251    -7.8633     0.9277	O.2	1	noname	-0.2830
2	C1    24.0091    -6.6783     0.6487	C.2	1	noname	0.0718
3	N1    23.0391    -5.7753     0.3378	N.3	1	noname	0.0488
4	C2    25.3500    -6.2363     0.6458	C.2	1	noname	0.0740
5	N2    21.7551    -5.9493     0.2769	N.3	1	noname	-0.0501
6	C3    23.3390    -4.4944     0.0339	C.2	1	noname	0.0295
7	C4    25.5959    -4.8914     0.3238	C.2	1	noname	0.0476
8	C5    21.1541    -4.7943    -0.0710	C.2	1	noname	-0.0370
9	N3    24.5839    -4.0653     0.0279	N.2	1	noname	-0.2115
10	C6    22.1490    -3.8344    -0.2360	C.2	1	noname	0.0564
11	C7    26.9738    -4.3864     0.3099	C.3	1	noname	-0.0220
12	C8    19.7091    -4.6123    -0.2389	C.3	1	noname	-0.0269
13	C9    22.0060    -2.5904    -0.5670	C.1	1	noname	0.0873
14	N4    21.8779    -1.4884    -0.8599	N.1	1	noname	-0.1784
15	H1    26.1139    -6.8742     0.8718	H	1	noname	0.0694
16	H2    21.3011    -6.7892     0.4549	H	1	noname	0.1483
17	H3    26.9877    -3.3264     0.0520	H	1	noname	0.0295
18	H4    27.4237    -4.5173     1.2949	H	1	noname	0.0295
19	H5    27.5587    -4.9373    -0.4279	H	1	noname	0.0295
20	H6    19.1911    -5.5452    -0.0159	H	1	noname	0.0290
21	H7    19.3541    -3.8353     0.4400	H	1	noname	0.0290
22	H8    19.4931    -4.3203    -1.2678	H	1	noname	0.0290
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	15	1
8	5	8	1
9	5	16	1
10	6	9	2
11	6	10	1
12	7	11	1
13	7	9	1
14	8	12	1
15	8	10	2
16	10	13	1
17	11	17	1
18	11	18	1
19	11	19	1
20	12	20	1
21	12	21	1
22	12	22	1
23	13	14	3
@<TRIPOS>SUBSTRUCTURE
1	noname	1