@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445151
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    12.4872    -1.4424     7.8600	S.3	1	noname	-0.1498
2	C1    11.4052    -0.6644     6.7542	C.2	1	noname	0.0794
3	C2    12.4171    -2.8032     6.7951	C.2	1	noname	0.1005
4	N1    11.0402    -1.3913     5.6883	N.2	1	noname	-0.1913
5	C3    11.6002    -2.6102     5.6852	C.2	1	noname	0.0788
6	C4    11.3741    -3.5551     4.6703	C.2	1	noname	0.1204
7	O1    11.9420    -4.6720     4.7184	O.2	1	noname	-0.2650
8	N2    10.5551    -3.2061     3.6454	N.3	1	noname	-0.1313
9	C5    10.2211    -3.9430     2.5515	C.2	1	noname	-0.0323
10	C6     9.9430    -3.2450     1.3546	C.2	1	noname	-0.0096
11	C7    10.0870    -5.3489     2.5705	C.2	1	noname	-0.0391
12	N3    10.0330    -1.8910     1.3036	N.3	1	noname	-0.1276
13	C8     9.5650    -3.9479     0.1947	C.2	1	noname	-0.0610
14	C9     9.7110    -6.0468     1.4106	C.2	1	noname	-0.0847
15	C10     8.8840    -1.0710     1.5076	C.3	1	noname	0.0031
16	C11    11.2809    -1.2450     1.0556	C.3	1	noname	0.0031
17	C12     9.4530    -5.3468     0.2217	C.2	1	noname	-0.0641
18	C13     9.1359    -0.1100     2.6806	C.3	1	noname	-0.0400
19	C14    11.6068    -0.2820     2.2086	C.3	1	noname	-0.0400
20	C15    10.4338     0.6808     2.4497	C.3	1	noname	-0.0508
21	H1    11.0672     0.2855     6.9042	H	1	noname	0.0959
22	H2    12.9311    -3.6681     6.9702	H	1	noname	0.0764
23	H3    10.2101    -2.3001     3.6684	H	1	noname	0.1375
24	H4    10.2540    -5.8719     3.4305	H	1	noname	0.0639
25	H5     9.3700    -3.4409    -0.6681	H	1	noname	0.0639
26	H6     9.6210    -7.0637     1.4346	H	1	noname	0.0623
27	H7     8.6990    -0.4880     0.6047	H	1	noname	0.0434
28	H8     7.9940    -1.6660     1.7246	H	1	noname	0.0434
29	H9    12.0968    -1.9639     0.9557	H	1	noname	0.0434
30	H10    11.2058    -0.6750     0.1277	H	1	noname	0.0434
31	H11     9.1780    -5.8538    -0.6191	H	1	noname	0.0623
32	H12     9.2179    -0.6790     3.6076	H	1	noname	0.0280
33	H13     8.2999     0.5849     2.7666	H	1	noname	0.0280
34	H14    11.7977    -0.8540     3.1156	H	1	noname	0.0280
35	H15    12.5007     0.2919     1.9587	H	1	noname	0.0280
36	H16    10.6438     1.2969     3.3247	H	1	noname	0.0267
37	H17    10.3128     1.3268     1.5798	H	1	noname	0.0267
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	21	1
5	3	5	2
6	3	22	1
7	4	5	1
8	5	6	1
9	6	7	2
10	6	8	1
11	8	9	1
12	8	23	1
13	9	10	2
14	9	11	1
15	10	12	1
16	10	13	1
17	11	14	2
18	11	24	1
19	12	15	1
20	12	16	1
21	13	17	2
22	13	25	1
23	14	17	1
24	14	26	1
25	15	18	1
26	15	27	1
27	15	28	1
28	16	19	1
29	16	29	1
30	16	30	1
31	17	31	1
32	18	20	1
33	18	32	1
34	18	33	1
35	19	20	1
36	19	34	1
37	19	35	1
38	20	36	1
39	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1