@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3813
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.6540     4.2602     0.0868	O.2	1	noname	-0.2582
2	C1     4.8640     3.4152     0.4878	C.2	1	noname	0.0880
3	O2     5.2039     2.6482     1.5279	O.3	1	noname	-0.2077
4	C2     3.6299     3.2512    -0.1230	C.2	1	noname	-0.0034
5	C3     6.4859     2.7953     2.1410	C.3	1	noname	0.0539
6	C4     2.7498     2.2272     0.2939	C.2	1	noname	0.0000
7	C5     3.2188     4.0963    -1.1770	C.2	1	noname	-0.0289
8	C6     6.5989     1.8073     3.3051	C.3	1	noname	-0.0409
9	C7     1.4847     2.0372    -0.3080	C.2	1	noname	-0.0045
10	C8     1.9707     3.9213    -1.7930	C.2	1	noname	-0.0427
11	N1     0.6567     1.0252     0.1100	N.3	1	noname	-0.0175
12	C9     1.1136     2.8973    -1.3630	C.2	1	noname	-0.0286
13	C10    -0.6833     1.0392     0.2790	C.2	1	noname	-0.0474
14	C11     1.0516    -0.2277     0.4361	C.2	1	noname	-0.0322
15	C12    -1.0664    -0.2347     0.6961	C.2	1	noname	0.0113
16	C13    -1.6474     2.0563     0.1391	C.2	1	noname	-0.0304
17	N2     0.0175    -1.0127     0.7901	N.2	1	noname	-0.2288
18	C14    -2.4074    -0.5517     0.9612	C.2	1	noname	-0.0105
19	C15    -2.9995     1.7554     0.4031	C.2	1	noname	-0.0469
20	C16    -3.3775     0.4583     0.8072	C.2	1	noname	-0.0439
21	H1     7.2709     2.5853     1.4130	H	1	noname	0.0570
22	H2     6.6039     3.8123     2.5190	H	1	noname	0.0570
23	H3     3.0298     1.6102     1.0580	H	1	noname	0.0651
24	H4     3.8308     4.8453    -1.5030	H	1	noname	0.0631
25	H5     7.5789     1.9073     3.7742	H	1	noname	0.0254
26	H6     5.8228     2.0193     4.0412	H	1	noname	0.0254
27	H7     6.4778     0.7893     2.9341	H	1	noname	0.0254
28	H8     1.6887     4.5364    -2.5580	H	1	noname	0.0623
29	H9     0.2186     2.7713    -1.8370	H	1	noname	0.0642
30	H10     2.0186    -0.5557     0.4071	H	1	noname	0.1019
31	H11    -1.3804     2.9994    -0.1408	H	1	noname	0.0643
32	H12    -2.6725    -1.4896     1.2632	H	1	noname	0.0645
33	H13    -3.7085     2.4824     0.3031	H	1	noname	0.0623
34	H14    -4.3586     0.2513     0.9952	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	5	21	1
9	5	22	1
10	6	9	1
11	6	23	1
12	7	10	2
13	7	24	1
14	8	25	1
15	8	26	1
16	8	27	1
17	9	11	1
18	9	12	2
19	10	12	1
20	10	28	1
21	11	13	1
22	11	14	1
23	12	29	1
24	13	15	2
25	13	16	1
26	14	17	2
27	14	30	1
28	15	18	1
29	15	17	1
30	16	19	2
31	16	31	1
32	18	20	2
33	18	32	1
34	19	20	1
35	19	33	1
36	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1