@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446153
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     7.4578   -16.3542     2.8570	O.2	1	noname	-0.2923
2	C1     7.2007   -15.1312     2.7981	C.2	1	noname	0.0275
3	N1     6.2787   -14.6841     3.6611	N.3	1	noname	-0.0838
4	C2     7.8997   -14.2911     1.9041	C.2	1	noname	0.0304
5	C3     8.9896   -14.6781     1.1282	C.2	1	noname	-0.0049
6	C4     7.7417   -12.9271     1.6232	C.2	1	noname	0.0534
7	N2     9.4396   -13.5961     0.4852	N.3	1	noname	-0.0209
8	N3     9.5296   -15.9041     1.0472	N.3	1	noname	-0.1259
9	N4     8.7186   -12.5621     0.7702	N.2	1	noname	-0.3437
10	C5     6.7546   -12.0130     2.0532	C.2	1	noname	-0.0223
11	C6     5.3826   -12.3450     2.0293	C.2	1	noname	-0.0167
12	C7     7.1326   -10.7130     2.4483	C.2	1	noname	-0.0228
13	C8     4.4056   -11.4119     2.4323	C.2	1	noname	-0.0410
14	C9     6.1696    -9.7740     2.8524	C.2	1	noname	-0.0351
15	C10     4.8025   -10.1139     2.8514	C.2	1	noname	-0.0202
16	C11     3.0376   -11.7499     2.4224	C.2	1	noname	-0.0367
17	C12     3.8245    -9.1818     3.2544	C.2	1	noname	-0.0150
18	C13     2.0745   -10.8108     2.8264	C.2	1	noname	-0.0258
19	C14     2.4565    -9.5248     3.2455	C.2	1	noname	0.0046
20	O2     1.4574    -8.6728     3.6225	O.3	1	noname	-0.2769
21	C15     1.7104    -7.3417     4.0796	C.3	1	noname	0.0423
22	H1     6.0636   -13.7421     3.7092	H	1	noname	0.1274
23	H2     5.8426   -15.3101     4.2592	H	1	noname	0.1274
24	H3    10.2025   -13.5860    -0.1137	H	1	noname	0.1766
25	H4     9.1426   -16.6340     1.5603	H	1	noname	0.1255
26	H5    10.2996   -16.0640     0.4803	H	1	noname	0.1255
27	H6     5.0916   -13.2709     1.7094	H	1	noname	0.0636
28	H7     8.1186   -10.4420     2.4524	H	1	noname	0.0629
29	H8     6.4716    -8.8429     3.1424	H	1	noname	0.0629
30	H9     2.7345   -12.6778     2.1224	H	1	noname	0.0630
31	H10     4.1085    -8.2478     3.5545	H	1	noname	0.0656
32	H11     1.0865   -11.0668     2.8165	H	1	noname	0.0650
33	H12     0.7603    -6.8677     4.3256	H	1	noname	0.0535
34	H13     2.3363    -7.3617     4.9726	H	1	noname	0.0535
35	H14     2.2023    -6.7607     3.2976	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	22	1
5	3	23	1
6	4	5	2
7	4	6	1
8	5	7	1
9	5	8	1
10	6	9	2
11	6	10	1
12	7	9	1
13	7	24	1
14	8	25	1
15	8	26	1
16	10	11	2
17	10	12	1
18	11	13	1
19	11	27	1
20	12	14	2
21	12	28	1
22	13	15	1
23	13	16	2
24	14	15	1
25	14	29	1
26	15	17	2
27	16	18	1
28	16	30	1
29	17	19	1
30	17	31	1
31	18	19	2
32	18	32	1
33	19	20	1
34	20	21	1
35	21	33	1
36	21	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1