@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3314
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.4679     4.0756     3.2943	O.3	1	noname	-0.2742
2	C1     4.1308     4.2566     2.1113	C.2	1	noname	-0.0026
3	C2     4.0578     4.3847     4.5613	C.3	1	noname	0.0424
4	C3     3.5588     3.7087     0.9424	C.2	1	noname	-0.0039
5	C4     5.3547     4.9567     2.0153	C.2	1	noname	-0.0330
6	N1     2.3708     3.0537     1.0104	N.3	1	noname	0.0166
7	C5     4.1997     3.8857    -0.3025	C.2	1	noname	-0.0492
8	C6     5.9927     5.1187     0.7744	C.2	1	noname	-0.0738
9	C7     2.1367     1.7998     0.5324	C.2	1	noname	0.0584
10	C8     5.4146     4.5838    -0.3865	C.2	1	noname	-0.0736
11	N2     3.1657     1.0419     0.0655	N.2	1	noname	-0.2170
12	C9     0.8307     1.2668     0.4985	C.2	1	noname	0.0034
13	C10     2.9906    -0.2050    -0.4284	C.2	1	noname	0.0595
14	C11     0.6677    -0.0320    -0.0394	C.2	1	noname	0.0250
15	C12    -0.3202     1.9539     0.9345	C.2	1	noname	0.0257
16	N3     1.7446    -0.7260    -0.4783	N.2	1	noname	-0.2351
17	C13    -0.6082    -0.6079    -0.1373	C.2	1	noname	0.0085
18	N4    -1.5392     1.3709     0.8176	N.2	1	noname	-0.2577
19	C14    -1.7183     0.1310     0.2986	C.2	1	noname	0.0377
20	N5    -2.9543    -0.3739     0.2016	N.3	1	noname	-0.1172
21	H1     3.3528     4.1227     5.3493	H	1	noname	0.0535
22	H2     4.9738     3.8077     4.7023	H	1	noname	0.0535
23	H3     4.2828     5.4507     4.6293	H	1	noname	0.0535
24	H4     5.7857     5.3567     2.8484	H	1	noname	0.0650
25	H5     1.6337     3.5238     1.4295	H	1	noname	0.1358
26	H6     3.7806     3.5038    -1.1514	H	1	noname	0.0640
27	H7     6.8766     5.6268     0.7155	H	1	noname	0.0623
28	H8     5.8736     4.7008    -1.2904	H	1	noname	0.0623
29	H9     3.7875    -0.7459    -0.7643	H	1	noname	0.1062
30	H10    -0.2503     2.8939     1.3275	H	1	noname	0.0848
31	H11    -0.7253    -1.5429    -0.5313	H	1	noname	0.0679
32	H12    -3.0923    -1.2578    -0.1732	H	1	noname	0.1257
33	H13    -3.7133     0.1521     0.4997	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	21	1
6	3	22	1
7	3	23	1
8	4	6	1
9	4	7	1
10	5	8	2
11	5	24	1
12	6	9	1
13	6	25	1
14	7	10	2
15	7	26	1
16	8	10	1
17	8	27	1
18	9	11	2
19	9	12	1
20	10	28	1
21	11	13	1
22	12	14	1
23	12	15	2
24	13	16	2
25	13	29	1
26	14	17	2
27	14	16	1
28	15	18	1
29	15	30	1
30	17	19	1
31	17	31	1
32	18	19	2
33	19	20	1
34	20	32	1
35	20	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1