@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444916
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    16.2394    -0.2604     0.2604	O.2	1	noname	-0.2905
2	C1    16.4133    -1.1024    -0.6485	C.2	1	noname	0.0750
3	C2    16.7183    -0.8164    -1.9595	C.2	1	noname	-0.0625
4	C3    16.3343    -2.4844    -0.5694	C.2	1	noname	0.0505
5	N1    16.8403    -1.9334    -2.6525	N.3	1	noname	-0.0252
6	C4    16.9323     0.2846    -2.7735	C.2	1	noname	-0.0101
7	C5    16.0183    -3.2274     0.5045	C.2	1	noname	-0.0059
8	C6    16.6292    -3.0974    -1.8674	C.3	1	noname	0.0815
9	C7    17.1213    -1.6483    -3.9345	C.2	1	noname	-0.0854
10	C8    17.1883    -0.2552    -4.0345	C.2	1	noname	-0.0380
11	C9    15.7282    -2.7294     1.7526	C.2	1	noname	-0.0242
12	C10    17.8093    -3.9994    -1.8504	C.2	1	noname	-0.0438
13	C11    16.7302    -2.6823     2.7387	C.2	1	noname	-0.0150
14	C12    14.4271    -2.2813     2.0537	C.2	1	noname	-0.0150
15	C13    17.6722    -5.3464    -2.2453	C.2	1	noname	-0.0499
16	C14    19.0773    -3.5343    -1.4393	C.2	1	noname	-0.0499
17	C15    16.4111    -2.1773     4.0098	C.2	1	noname	0.0001
18	C16    14.1590    -1.7852     3.3388	C.2	1	noname	0.0001
19	C17    18.7792    -6.2124    -2.2273	C.2	1	noname	-0.0586
20	C18    20.1853    -4.3983    -1.4213	C.2	1	noname	-0.0586
21	N2    15.1490    -1.7502     4.2668	N.2	1	noname	-0.2537
22	C19    20.0353    -5.7384    -1.8152	C.2	1	noname	-0.0611
23	H1    16.9023     1.2697    -2.5104	H	1	noname	0.0644
24	H2    16.0002    -4.2124     0.3976	H	1	noname	0.0634
25	H3    15.7392    -3.6174    -2.2324	H	1	noname	0.0613
26	H4    17.2622    -2.3193    -4.6895	H	1	noname	0.0791
27	H5    17.3872     0.2747    -4.8835	H	1	noname	0.0636
28	H6    17.6782    -3.0053     2.5398	H	1	noname	0.0645
29	H7    13.6870    -2.3103     1.3517	H	1	noname	0.0645
30	H8    16.7641    -5.7014    -2.5453	H	1	noname	0.0626
31	H9    19.1962    -2.5623    -1.1513	H	1	noname	0.0626
32	H10    17.1241    -2.1312     4.7379	H	1	noname	0.0839
33	H11    13.2250    -1.4532     3.5768	H	1	noname	0.0839
34	H12    18.6702    -7.1864    -2.5133	H	1	noname	0.0622
35	H13    21.0972    -4.0533    -1.1212	H	1	noname	0.0622
36	H14    20.8393    -6.3673    -1.8012	H	1	noname	0.0622
@<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	8	1
8	5	9	1
9	5	8	1
10	6	10	1
11	6	23	1
12	7	11	1
13	7	24	1
14	8	12	1
15	8	25	1
16	9	10	2
17	9	26	1
18	10	27	1
19	11	13	2
20	11	14	1
21	12	15	2
22	12	16	1
23	13	17	1
24	13	28	1
25	14	18	2
26	14	29	1
27	15	19	1
28	15	30	1
29	16	20	2
30	16	31	1
31	17	21	2
32	17	32	1
33	18	21	1
34	18	33	1
35	19	22	2
36	19	34	1
37	20	22	1
38	20	35	1
39	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1