@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444440
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    22.0317   -22.6661     0.8928	S.3	1	noname	-0.1441
2	C1    21.1396   -21.2030     0.6398	C.2	1	noname	0.1268
3	C2    23.4627   -21.6940     0.9658	C.2	1	noname	0.0674
4	N1    21.8866   -20.0919     0.6198	N.2	1	noname	-0.1841
5	N2    19.8025   -21.1259     0.4708	N.3	1	noname	-0.0921
6	C3    24.7067   -22.3069     1.1708	C.2	1	noname	0.1670
7	C4    23.1916   -20.3319     0.7988	C.2	1	noname	0.0816
8	C5    18.9535   -22.1769     0.4738	C.2	1	noname	0.1373
9	O1    25.9157   -21.7078     1.2459	O.3	1	noname	-0.2849
10	N3    24.8657   -23.6279     1.3249	N.2	1	noname	-0.1349
11	C6    24.1356   -19.2058     0.8029	C.3	1	noname	0.0488
12	O2    19.3335   -23.3579     0.6409	O.2	1	noname	-0.2752
13	C7    17.5274   -21.9168     0.2749	C.3	1	noname	0.0099
14	N4    26.8147   -22.6288     1.4419	N.2	1	noname	-0.1247
15	C8    26.1817   -23.8089     1.4919	C.2	1	noname	0.1288
16	C9    26.8527   -25.0999     1.7030	C.3	1	noname	0.1120
17	C10    25.9156   -26.3119     1.6950	C.3	1	noname	0.0568
18	C11    27.8447   -25.4599     0.5910	C.3	1	noname	-0.0173
19	O3    26.8015   -27.3989     1.4601	O.3	1	noname	-0.3805
20	C12    27.8726   -26.9949     0.6111	C.3	1	noname	0.0475
21	H1    19.4235   -20.2448     0.3358	H	1	noname	0.1394
22	H2    23.8596   -18.5157     1.6010	H	1	noname	0.0296
23	H3    24.0696   -18.6847    -0.1520	H	1	noname	0.0296
24	H4    25.1636   -19.5228     0.9569	H	1	noname	0.0296
25	H5    17.3763   -21.4428    -0.6940	H	1	noname	0.0324
26	H6    17.1643   -21.2557     1.0630	H	1	noname	0.0324
27	H7    16.9683   -22.8528     0.3069	H	1	noname	0.0324
28	H8    27.3816   -25.0748     2.6561	H	1	noname	0.0410
29	H9    25.1955   -26.2468     0.8770	H	1	noname	0.0573
30	H10    25.3985   -26.4238     2.6491	H	1	noname	0.0573
31	H11    27.4826   -25.1188    -0.3809	H	1	noname	0.0298
32	H12    28.8316   -25.0418     0.7921	H	1	noname	0.0298
33	H13    28.8196   -27.3558     1.0151	H	1	noname	0.0566
34	H14    27.7246   -27.3868    -0.3958	H	1	noname	0.0566
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	2
7	4	7	1
8	5	8	1
9	5	21	1
10	6	9	1
11	6	10	2
12	7	11	1
13	8	12	2
14	8	13	1
15	9	14	1
16	10	15	1
17	11	22	1
18	11	23	1
19	11	24	1
20	13	25	1
21	13	26	1
22	13	27	1
23	14	15	2
24	15	16	1
25	16	17	1
26	16	18	1
27	16	28	1
28	17	19	1
29	17	29	1
30	17	30	1
31	18	20	1
32	18	31	1
33	18	32	1
34	19	20	1
35	20	33	1
36	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1