@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441151
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    21.7090    -0.5321    -0.0886	S.3	1	noname	-0.2183
2	C1    21.5460    -2.1641     0.4804	C.2	1	noname	0.0930
3	C2    23.4180    -0.7631     0.0343	C.2	1	noname	0.0048
4	N1    22.7020    -2.7971     0.7294	N.2	1	noname	-0.2209
5	N2    20.3749    -2.8041     0.6814	N.3	1	noname	0.0583
6	C3    23.7700    -2.0280     0.4854	C.2	1	noname	0.0292
7	C4    19.1398    -2.2890     0.4785	C.2	1	noname	0.0542
8	C5    25.1439    -2.4940     0.6844	C.3	1	noname	0.0385
9	N3    18.9358    -1.0229     0.0245	N.2	1	noname	-0.2468
10	C6    18.0198    -3.1030     0.7455	C.2	1	noname	0.0312
11	C7    17.7067    -0.4949    -0.1953	C.2	1	noname	-0.0180
12	O1    18.1527    -4.3789     1.1966	O.3	1	noname	-0.2593
13	C8    16.7327    -2.5879     0.5156	C.2	1	noname	-0.0129
14	C9    16.5667    -1.2759     0.0456	C.2	1	noname	-0.0412
15	C10    18.4747    -4.5859     2.5766	C.3	1	noname	0.0957
16	C11    18.5546    -6.0248     2.8537	C.2	1	noname	0.0151
17	N4    19.7206    -6.5668     3.2928	N.2	1	noname	-0.2422
18	C12    17.4356    -6.8588     2.6738	C.2	1	noname	-0.0143
19	C13    19.8665    -7.8868     3.5698	C.2	1	noname	0.0001
20	C14    17.5545    -8.2308     2.9518	C.2	1	noname	-0.0381
21	C15    18.7765    -8.7547     3.4029	C.2	1	noname	-0.0260
22	H1    24.0980    -0.0400    -0.2006	H	1	noname	0.0759
23	H2    20.4249    -3.7190     0.9995	H	1	noname	0.1382
24	H3    25.8599    -1.7119     0.4285	H	1	noname	0.0296
25	H4    25.2809    -2.7769     1.7285	H	1	noname	0.0296
26	H5    25.3239    -3.3630     0.0514	H	1	noname	0.0296
27	H6    17.6137     0.4611    -0.5363	H	1	noname	0.0839
28	H7    15.9136    -3.1689     0.6956	H	1	noname	0.0651
29	H8    15.6336    -0.8968    -0.1182	H	1	noname	0.0639
30	H9    17.7046    -4.1428     3.2117	H	1	noname	0.0639
31	H10    19.4336    -4.1219     2.8117	H	1	noname	0.0639
32	H11    16.5495    -6.4747     2.3448	H	1	noname	0.0642
33	H12    20.7635    -8.2457     3.8969	H	1	noname	0.0839
34	H13    16.7515    -8.8467     2.8249	H	1	noname	0.0623
35	H14    18.8704    -9.7507     3.6059	H	1	noname	0.0638
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	22	1
7	4	6	1
8	5	7	1
9	5	23	1
10	6	8	1
11	7	9	2
12	7	10	1
13	8	24	1
14	8	25	1
15	8	26	1
16	9	11	1
17	10	12	1
18	10	13	2
19	11	14	2
20	11	27	1
21	12	15	1
22	13	14	1
23	13	28	1
24	14	29	1
25	15	16	1
26	15	30	1
27	15	31	1
28	16	17	2
29	16	18	1
30	17	19	1
31	18	20	2
32	18	32	1
33	19	21	2
34	19	33	1
35	20	21	1
36	20	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1