@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444917
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.3467    -0.3472     0.3472	O.2	1	noname	-0.2905
2	C1     4.5567    -1.1721    -0.5696	C.2	1	noname	0.0752
3	C2     4.8876    -0.8591    -1.8685	C.2	1	noname	-0.0625
4	C3     4.5056    -2.5570    -0.5126	C.2	1	noname	0.0519
5	N1     5.0456    -1.9620    -2.5755	N.3	1	noname	-0.0252
6	C4     5.1006     0.2588    -2.6595	C.2	1	noname	-0.0101
7	C5     4.1886    -3.3230     0.5433	C.2	1	noname	0.0009
8	C6     4.8355    -3.1420    -1.8155	C.3	1	noname	0.0815
9	C7     5.3535    -1.6510    -3.8454	C.2	1	noname	-0.0854
10	C8     5.3975    -0.2560    -3.9214	C.2	1	noname	-0.0380
11	C9     3.8625    -2.8579     1.7953	C.2	1	noname	-0.0101
12	C10     6.0265    -4.0279    -1.7955	C.2	1	noname	-0.0438
13	C11     4.7984    -2.9199     2.8443	C.2	1	noname	0.0069
14	C12     2.5855    -2.3319     2.0684	C.2	1	noname	-0.0312
15	C13     5.9154    -5.3668    -2.2254	C.2	1	noname	-0.0499
16	C14     7.2814    -3.5559    -1.3534	C.2	1	noname	-0.0499
17	N2     4.4614    -2.4709     4.0793	N.2	1	noname	-0.2518
18	C15     2.2665    -1.8739     3.3564	C.2	1	noname	-0.0242
19	C16     7.0344    -6.2177    -2.2144	C.2	1	noname	-0.0586
20	C17     8.4013    -4.4058    -1.3414	C.2	1	noname	-0.0586
21	C18     3.2394    -1.9539     4.3644	C.2	1	noname	-0.0041
22	C19     8.2773    -5.7367    -1.7713	C.2	1	noname	-0.0611
23	H1     5.0455     1.2388    -2.3825	H	1	noname	0.0644
24	H2     4.2015    -4.3069     0.4204	H	1	noname	0.0634
25	H3     3.9605    -3.6669    -2.2085	H	1	noname	0.0613
26	H4     5.5255    -2.3079    -4.6074	H	1	noname	0.0791
27	H5     5.6075     0.2909    -4.7563	H	1	noname	0.0636
28	H6     5.7324    -3.2998     2.6834	H	1	noname	0.0845
29	H7     1.8835    -2.2779     1.3284	H	1	noname	0.0630
30	H8     5.0164    -5.7258    -2.5493	H	1	noname	0.0626
31	H9     7.3823    -2.5898    -1.0394	H	1	noname	0.0626
32	H10     1.3425    -1.4898     3.5574	H	1	noname	0.0638
33	H11     6.9433    -7.1837    -2.5273	H	1	noname	0.0622
34	H12     9.3042    -4.0548    -1.0204	H	1	noname	0.0622
35	H13     3.0303    -1.6268     5.3084	H	1	noname	0.0839
36	H14     9.0902    -6.3536    -1.7633	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	18	21	1
33	18	32	1
34	19	22	2
35	19	33	1
36	20	22	1
37	20	34	1
38	21	35	1
39	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1