@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3993
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1798    -0.8715     4.1881	O.2	1	noname	-0.1843
2	N1     3.0678    -1.1124     3.4711	N.2	1	noname	-0.0220
3	C1     2.8647    -1.5405     2.1701	C.3	1	noname	0.1431
4	C2     4.1438    -1.7364     1.4731	C.2	1	noname	-0.0119
5	C3     2.3237    -2.9065     2.0841	C.2	1	noname	-0.0217
6	C4     4.3388    -3.0615     1.0561	C.2	1	noname	0.0259
7	C5     5.1068    -0.7483     1.2071	C.2	1	noname	-0.0188
8	C6     3.1977    -3.7815     1.4261	C.2	1	noname	-0.0253
9	C7     1.0785    -3.3555     2.5582	C.2	1	noname	-0.0423
10	C8     5.5228    -3.4395     0.3790	C.2	1	noname	0.0100
11	C9     6.2808    -1.1073     0.5211	C.2	1	noname	-0.0416
12	C10     2.8356    -5.1266     1.2161	C.2	1	noname	-0.0386
13	C11     0.7184    -4.7025     2.3632	C.2	1	noname	-0.0518
14	C12     5.7818    -4.7295    -0.0058	C.2	1	noname	0.0912
15	C13     6.4868    -2.4394     0.1141	C.2	1	noname	-0.0018
16	C14     1.5925    -5.5815     1.6942	C.2	1	noname	-0.0553
17	O2     5.9488    -4.9875    -1.1899	O.2	1	noname	-0.2576
18	O3     5.8958    -5.6705     0.9292	O.3	1	noname	-0.2073
19	C15     6.1418    -7.0236     0.5432	C.3	1	noname	0.0539
20	C16     6.1737    -7.8986     1.7993	C.3	1	noname	-0.0409
21	H1     2.2347    -0.8364     1.6241	H	1	noname	0.0692
22	H2     4.9578     0.2147     1.5071	H	1	noname	0.0626
23	H3     0.4444    -2.7144     3.0352	H	1	noname	0.0626
24	H4     6.9888    -0.4002     0.3221	H	1	noname	0.0622
25	H5     3.4496    -5.7706     0.7211	H	1	noname	0.0629
26	H6    -0.1816    -5.0415     2.7032	H	1	noname	0.0622
27	H7     7.3508    -2.6803    -0.3748	H	1	noname	0.0631
28	H8     1.3194    -6.5546     1.5502	H	1	noname	0.0622
29	H9     5.3467    -7.3726    -0.1167	H	1	noname	0.0570
30	H10     7.1008    -7.0946     0.0272	H	1	noname	0.0570
31	H11     6.3587    -8.9356     1.5163	H	1	noname	0.0254
32	H12     6.9687    -7.5575     2.4624	H	1	noname	0.0254
33	H13     5.2166    -7.8306     2.3164	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	3	4	1
4	3	5	1
5	3	21	1
6	4	6	2
7	4	7	1
8	5	8	2
9	5	9	1
10	6	10	1
11	6	8	1
12	7	11	2
13	7	22	1
14	8	12	1
15	9	13	2
16	9	23	1
17	10	14	1
18	10	15	2
19	11	15	1
20	11	24	1
21	12	16	2
22	12	25	1
23	13	16	1
24	13	26	1
25	14	17	2
26	14	18	1
27	15	27	1
28	16	28	1
29	18	19	1
30	19	20	1
31	19	29	1
32	19	30	1
33	20	31	1
34	20	32	1
35	20	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1