@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3278
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.9271     2.3317     2.3317	O.2	1	noname	-0.1447
2	N1    -4.8812     1.1358     2.4548	N.2	1	noname	-0.0152
3	O2    -5.7932     0.6268     3.0558	O.3	1	noname	-0.1447
4	C1    -3.8512     0.3958     1.9408	C.2	1	noname	0.0392
5	C2    -2.7923     1.0159     1.2379	C.2	1	noname	0.0536
6	C3    -3.8183    -1.0080     2.0979	C.2	1	noname	0.0421
7	C4    -1.7273     0.2599     0.7030	C.2	1	noname	-0.0111
8	C5    -2.7653    -1.7730     1.5709	C.2	1	noname	0.0162
9	C6    -0.6464     0.8219    -0.0069	C.2	1	noname	0.0653
10	C7    -1.7194    -1.1459     0.8740	C.2	1	noname	0.0784
11	N2     0.3325     0.0140    -0.4868	N.2	1	noname	-0.2367
12	N3    -0.5674     2.1570    -0.2218	N.3	1	noname	-0.0978
13	N4    -0.7094    -1.8909     0.3680	N.2	1	noname	-0.2458
14	C8     0.3144    -1.3258    -0.3098	C.2	1	noname	0.0706
15	C9     0.4984     2.7680    -0.9358	C.3	1	noname	0.0265
16	C10     0.2824     4.2240    -1.0207	C.2	1	noname	-0.0486
17	C11    -0.8335     4.7320    -1.7177	C.2	1	noname	-0.0531
18	C12     1.1833     5.1250    -0.4177	C.2	1	noname	-0.0531
19	C13    -1.0486     6.1181    -1.8056	C.2	1	noname	-0.0594
20	C14     0.9703     6.5121    -0.5056	C.2	1	noname	-0.0594
21	C15    -0.1456     7.0081    -1.1996	C.2	1	noname	-0.0613
22	H1    -2.8033     2.0299     1.1179	H	1	noname	0.0655
23	H2    -4.5703    -1.4810     2.6009	H	1	noname	0.0647
24	H3    -2.7613    -2.7859     1.6960	H	1	noname	0.0646
25	H4    -1.2714     2.7240     0.1271	H	1	noname	0.1300
26	H5     1.0664    -1.9047    -0.6837	H	1	noname	0.1062
27	H6     0.5494     2.3560    -1.9457	H	1	noname	0.0482
28	H7     1.4394     2.5490    -0.4247	H	1	noname	0.0482
29	H8    -1.4926     4.0911    -2.1606	H	1	noname	0.0626
30	H9     1.9963     4.7731     0.0892	H	1	noname	0.0626
31	H10    -1.8586     6.4781    -2.3106	H	1	noname	0.0622
32	H11     1.6262     7.1581    -0.0656	H	1	noname	0.0622
33	H12    -0.3007     8.0151    -1.2645	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	22	1
8	6	8	2
9	6	23	1
10	7	9	2
11	7	10	1
12	8	10	1
13	8	24	1
14	9	11	1
15	9	12	1
16	10	13	2
17	11	14	2
18	12	15	1
19	12	25	1
20	13	14	1
21	14	26	1
22	15	16	1
23	15	27	1
24	15	28	1
25	16	17	2
26	16	18	1
27	17	19	1
28	17	29	1
29	18	20	2
30	18	30	1
31	19	21	2
32	19	31	1
33	20	21	1
34	20	32	1
35	21	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1