@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441558
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.7795    -2.9374     1.1564	O.2	1	noname	-0.2810
2	C1     2.9134    -2.5023     0.8575	C.2	1	noname	0.0635
3	N1     3.0343    -1.1963     0.4885	N.3	1	noname	0.0141
4	C2     4.0593    -3.3333     0.8975	C.2	1	noname	0.0621
5	C3     4.2313    -0.6393     0.1496	C.2	1	noname	-0.0814
6	N2     3.9683    -4.6362     1.2625	N.2	1	noname	-0.2190
7	C4     5.3143    -2.7782     0.5475	C.2	1	noname	0.0477
8	C5     5.3972    -1.4132     0.1696	C.2	1	noname	-0.0120
9	C6     5.0552    -5.4382     1.3036	C.2	1	noname	0.0554
10	C7     6.4322    -3.6382     0.6006	C.2	1	noname	0.0579
11	N3     6.2631    -4.9311     0.9737	N.2	1	noname	-0.2206
12	N4     7.6701    -3.1932     0.2766	N.3	1	noname	-0.1002
13	C8     8.8421    -3.9981     0.3127	C.3	1	noname	0.0128
14	C9     9.9740    -3.2371    -0.3992	C.3	1	noname	-0.0373
15	C10     9.2631    -4.3051     1.7637	C.3	1	noname	-0.0373
16	C11    11.2730    -4.0571    -0.3832	C.3	1	noname	-0.0518
17	C12    10.5620    -5.1270     1.7857	C.3	1	noname	-0.0518
18	C13    11.6869    -4.3740     1.0618	C.3	1	noname	-0.0532
19	H1     2.2373    -0.6452     0.4685	H	1	noname	0.1368
20	H2     4.2772     0.3436    -0.1193	H	1	noname	0.0754
21	H3     6.2902    -0.9892    -0.0852	H	1	noname	0.0641
22	H4     4.9642    -6.4161     1.5806	H	1	noname	0.1062
23	H5     7.7621    -2.2761    -0.0213	H	1	noname	0.1299
24	H6     8.6641    -4.9331    -0.2222	H	1	noname	0.0468
25	H7    10.1460    -2.2821     0.1007	H	1	noname	0.0282
26	H8     9.6870    -3.0481    -1.4342	H	1	noname	0.0282
27	H9     9.4190    -3.3701     2.3047	H	1	noname	0.0282
28	H10     8.4810    -4.8750     2.2647	H	1	noname	0.0282
29	H11    11.1209    -4.9890    -0.9301	H	1	noname	0.0267
30	H12    12.0659    -3.4870    -0.8671	H	1	noname	0.0267
31	H13    10.8559    -5.3060     2.8208	H	1	noname	0.0267
32	H14    10.3909    -6.0860     1.2948	H	1	noname	0.0267
33	H15    12.5859    -4.9910     1.0528	H	1	noname	0.0266
34	H16    11.9009    -3.4440     1.5898	H	1	noname	0.0266
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	19	1
6	4	6	2
7	4	7	1
8	5	8	2
9	5	20	1
10	6	9	1
11	7	10	2
12	7	8	1
13	8	21	1
14	9	11	2
15	9	22	1
16	10	12	1
17	10	11	1
18	12	13	1
19	12	23	1
20	13	14	1
21	13	15	1
22	13	24	1
23	14	16	1
24	14	25	1
25	14	26	1
26	15	17	1
27	15	27	1
28	15	28	1
29	16	18	1
30	16	29	1
31	16	30	1
32	17	18	1
33	17	31	1
34	17	32	1
35	18	33	1
36	18	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1