@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442316
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    15.2171   -13.0817     4.6579	O.2	1	noname	-0.2942
2	C1    14.7940   -12.6357     3.6009	C.2	1	noname	0.0945
3	C2    14.1819   -11.4236     3.5329	C.2	1	noname	0.0551
4	C3    14.9480   -13.3747     2.4798	C.2	1	noname	0.0702
5	C4    13.7439   -11.0035     2.3029	C.2	1	noname	0.0453
6	C5    13.9939   -10.6365     4.6140	C.2	1	noname	0.0013
7	C6    14.4929   -12.9116     1.3018	C.2	1	noname	0.0295
8	N1    13.9128   -11.7455     1.2649	N.2	1	noname	-0.2185
9	C7    13.1378    -9.8014     2.2199	C.2	1	noname	0.0289
10	C8    13.3768    -9.4334     4.5000	C.2	1	noname	-0.0043
11	C9    14.6289   -13.6286     0.1259	C.2	1	noname	-0.0205
12	C10    12.9578    -9.0353     3.2930	C.2	1	noname	0.0166
13	C11    12.6228    -9.1343     1.1949	C.2	1	noname	0.0085
14	C12    15.0979   -12.9935    -1.0451	C.2	1	noname	-0.0049
15	C13    14.2939   -14.9996     0.0659	C.2	1	noname	-0.0459
16	N2    12.3607    -7.9482     2.9630	N.2	1	noname	-0.2398
17	C14    12.1527    -7.9953     1.7000	C.2	1	noname	0.0095
18	C15    15.2398   -13.7065    -2.2541	C.2	1	noname	0.0078
19	C16    14.4328   -15.7166    -1.1330	C.2	1	noname	-0.0438
20	O2    15.6898   -13.1484    -3.4171	O.3	1	noname	-0.2767
21	C17    14.9048   -15.0715    -2.2870	C.2	1	noname	-0.0221
22	C18    16.0578   -11.7693    -3.5171	C.3	1	noname	0.0423
23	H1    15.4029   -14.2557     2.5389	H	1	noname	0.0686
24	H2    14.3059   -10.9315     5.5081	H	1	noname	0.0631
25	H3    13.2408    -8.8593     5.2961	H	1	noname	0.0645
26	H4    12.5927    -9.4243     0.2479	H	1	noname	0.0646
27	H5    15.3408   -12.0024    -1.0140	H	1	noname	0.0657
28	H6    13.9438   -15.4806     0.8970	H	1	noname	0.0629
29	H7    11.7066    -7.2842     1.1740	H	1	noname	0.0839
30	H8    14.1888   -16.7076    -1.1660	H	1	noname	0.0623
31	H9    15.0028   -15.5975    -3.1550	H	1	noname	0.0650
32	H10    16.3808   -11.5643    -4.5381	H	1	noname	0.0535
33	H11    15.2047   -11.1313    -3.2830	H	1	noname	0.0535
34	H12    16.8808   -11.5473    -2.8360	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	2
6	4	7	2
7	4	23	1
8	5	8	2
9	5	9	1
10	6	10	1
11	6	24	1
12	7	11	1
13	7	8	1
14	9	12	1
15	9	13	2
16	10	12	2
17	10	25	1
18	11	14	2
19	11	15	1
20	12	16	1
21	13	17	1
22	13	26	1
23	14	18	1
24	14	27	1
25	15	19	2
26	15	28	1
27	16	17	2
28	17	29	1
29	18	20	1
30	18	21	2
31	19	21	1
32	19	30	1
33	20	22	1
34	21	31	1
35	22	32	1
36	22	33	1
37	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1