@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443667
33 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    19.9482     0.6164     0.4403	S.3	1	noname	-0.1472
2	C1    20.6402    -0.9534     0.1703	C.2	1	noname	0.1122
3	C2    18.4212    -0.1374     0.1473	C.2	1	noname	0.0646
4	N1    19.7741    -1.9423    -0.1165	N.2	1	noname	-0.1664
5	C3    22.0171    -1.1703     0.2514	C.2	1	noname	0.1275
6	C4    18.5131    -1.4984    -0.1345	C.2	1	noname	0.0829
7	C5    17.1621     0.4785     0.1694	C.2	1	noname	0.0492
8	O1    22.6291    -2.3563     0.0564	O.3	1	noname	-0.3003
9	N2    22.9290    -0.2283     0.5354	N.2	1	noname	-0.1068
10	C6    17.3671    -2.2633    -0.3975	C.2	1	noname	0.0322
11	N3    16.0631    -0.2783    -0.0875	N.2	1	noname	-0.2405
12	C7    23.9370    -2.0822     0.2355	C.2	1	noname	0.1720
13	N4    24.0970    -0.7833     0.5255	N.2	1	noname	-0.1299
14	C8    16.1231    -1.6093    -0.3664	C.2	1	noname	0.0212
15	N5    24.9439    -2.9692     0.1386	N.3	1	noname	-0.0402
16	C9    24.7169    -4.3351    -0.1753	C.3	1	noname	0.0285
17	C10    25.9968    -5.0640    -0.2382	C.2	1	noname	-0.0486
18	C11    26.2738    -6.1129     0.6617	C.2	1	noname	-0.0531
19	C12    26.9578    -4.7220    -1.2122	C.2	1	noname	-0.0531
20	C13    27.4947    -6.8069     0.5928	C.2	1	noname	-0.0594
21	C14    28.1777    -5.4149    -1.2831	C.2	1	noname	-0.0594
22	C15    28.4466    -6.4578    -0.3801	C.2	1	noname	-0.0613
23	H1    17.0721     1.4735     0.3744	H	1	noname	0.0855
24	H2    17.4340    -3.2602    -0.6044	H	1	noname	0.0662
25	H3    15.2660    -2.1302    -0.5524	H	1	noname	0.0839
26	H4    25.8509    -2.6601     0.2876	H	1	noname	0.1321
27	H5    24.2158    -4.4120    -1.1422	H	1	noname	0.0483
28	H6    24.0648    -4.7710     0.5857	H	1	noname	0.0483
29	H7    25.5877    -6.3739     1.3717	H	1	noname	0.0626
30	H8    26.7687    -3.9669    -1.8721	H	1	noname	0.0626
31	H9    27.6886    -7.5648     1.2478	H	1	noname	0.0622
32	H10    28.8687    -5.1619    -1.9901	H	1	noname	0.0622
33	H11    29.3325    -6.9608    -0.4300	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	6	1
8	5	8	1
9	5	9	2
10	6	10	1
11	7	11	2
12	7	23	1
13	8	12	1
14	9	13	1
15	10	14	2
16	10	24	1
17	11	14	1
18	12	15	1
19	12	13	2
20	14	25	1
21	15	16	1
22	15	26	1
23	16	17	1
24	16	27	1
25	16	28	1
26	17	18	2
27	17	19	1
28	18	20	1
29	18	29	1
30	19	21	2
31	19	30	1
32	20	22	2
33	20	31	1
34	21	22	1
35	21	32	1
36	22	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1