@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444439
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    36.1979   -27.4935    -4.0866	S.3	1	noname	-0.1438
2	C1    36.6708   -28.2665    -5.5636	C.2	1	noname	0.1271
3	C2    37.5278   -26.4084    -4.3136	C.2	1	noname	0.0675
4	N1    37.7468   -27.7284    -6.1526	N.2	1	noname	-0.1841
5	N2    36.0447   -29.3234    -6.1206	N.3	1	noname	-0.0920
6	C3    37.7638   -25.3974    -3.3725	C.2	1	noname	0.1671
7	C4    38.2508   -26.6864    -5.4785	C.2	1	noname	0.0819
8	C5    34.9567   -29.9423    -5.6125	C.2	1	noname	0.1373
9	O1    38.7457   -24.4703    -3.3915	O.3	1	noname	-0.3326
10	N3    37.0118   -25.2113    -2.2815	N.2	1	noname	-0.1120
11	C6    39.4348   -25.9933    -6.0035	C.3	1	noname	0.0488
12	O2    34.4097   -29.5883    -4.5434	O.2	1	noname	-0.2752
13	C7    34.3956   -31.0763    -6.3465	C.3	1	noname	0.0099
14	N4    38.6107   -23.7203    -2.3355	N.2	1	noname	-0.1554
15	C8    37.5487   -24.1623    -1.6434	C.2	1	noname	0.1542
16	N5    37.0917   -23.6302    -0.4784	N.3	1	noname	-0.0404
17	C9    35.9456   -24.1562     0.1926	C.3	1	noname	0.0297
18	C10    37.7167   -22.5002     0.1326	C.3	1	noname	0.0297
19	C11    34.9086   -23.0342     0.3646	C.3	1	noname	0.0600
20	C12    36.6736   -21.3841     0.3046	C.3	1	noname	0.0600
21	O3    35.5265   -21.9031     0.9786	O.3	1	noname	-0.3786
22	H1    36.4057   -29.6644    -6.9535	H	1	noname	0.1394
23	H2    39.2097   -25.6133    -7.0005	H	1	noname	0.0296
24	H3    40.2587   -26.7033    -6.0735	H	1	noname	0.0296
25	H4    39.7437   -25.1613    -5.3774	H	1	noname	0.0296
26	H5    35.1496   -31.8583    -6.4415	H	1	noname	0.0324
27	H6    34.0856   -30.7493    -7.3395	H	1	noname	0.0324
28	H7    33.5306   -31.4743    -5.8145	H	1	noname	0.0324
29	H8    36.2456   -24.5131     1.1786	H	1	noname	0.0459
30	H9    35.4826   -24.9832    -0.3493	H	1	noname	0.0459
31	H10    38.0876   -22.7891     1.1166	H	1	noname	0.0459
32	H11    38.5526   -22.1142    -0.4533	H	1	noname	0.0459
33	H12    34.5145   -22.7501    -0.6123	H	1	noname	0.0580
34	H13    34.0905   -23.3861     0.9927	H	1	noname	0.0580
35	H14    37.1016   -20.5701     0.8897	H	1	noname	0.0580
36	H15    36.3806   -21.0051    -0.6752	H	1	noname	0.0580
@<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	22	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	23	1
18	11	24	1
19	11	25	1
20	13	26	1
21	13	27	1
22	13	28	1
23	14	15	2
24	15	16	1
25	16	17	1
26	16	18	1
27	17	19	1
28	17	29	1
29	17	30	1
30	18	20	1
31	18	31	1
32	18	32	1
33	19	21	1
34	19	33	1
35	19	34	1
36	20	21	1
37	20	35	1
38	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1