@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444452
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    21.8632   -11.2058     0.8933	S.3	1	noname	-0.1442
2	C1    20.9641    -9.7567     0.5913	C.2	1	noname	0.1268
3	C2    23.2902   -10.2267     0.9343	C.2	1	noname	0.0674
4	N1    21.7071    -8.6436     0.5334	N.2	1	noname	-0.1841
5	N2    19.6280    -9.6946     0.4173	N.3	1	noname	-0.0921
6	C3    24.5322   -10.8357     1.1644	C.2	1	noname	0.1665
7	C4    23.0141    -8.8716     0.7213	C.2	1	noname	0.0816
8	C5    18.7869   -10.7516     0.4514	C.2	1	noname	0.1373
9	O1    24.6792   -12.1637     1.3644	O.3	1	noname	-0.2865
10	N3    25.7342   -10.2486     1.2244	N.2	1	noname	-0.1357
11	C6    23.9521    -7.7415     0.6844	C.3	1	noname	0.0488
12	O2    19.1759   -11.9247     0.6525	O.2	1	noname	-0.2752
13	C7    17.3598   -10.5116     0.2414	C.3	1	noname	0.0099
14	N4    25.9452   -12.4087     1.5465	N.2	1	noname	-0.1269
15	C8    26.5992   -11.2416     1.4635	C.2	1	noname	0.1274
16	C9    28.0473   -11.0686     1.6125	C.3	1	noname	0.1065
17	C10    28.5613   -11.4425     3.0196	C.3	1	noname	0.0664
18	O3    28.2822   -12.8086     3.2967	O.3	1	noname	-0.3899
19	C11    30.0863   -11.2565     3.0597	C.3	1	noname	-0.0359
20	C12    27.9162   -10.5694     4.1108	C.3	1	noname	-0.0359
21	H1    19.2419    -8.8206     0.2544	H	1	noname	0.1394
22	H2    23.6761    -7.0264     1.4585	H	1	noname	0.0296
23	H3    23.8821    -7.2544    -0.2885	H	1	noname	0.0296
24	H4    24.9821    -8.0485     0.8454	H	1	noname	0.0296
25	H5    17.2077   -10.0605    -0.7395	H	1	noname	0.0324
26	H6    16.9868    -9.8365     1.0115	H	1	noname	0.0324
27	H7    16.8097   -11.4526     0.2925	H	1	noname	0.0324
28	H8    28.5452   -11.6946     0.8715	H	1	noname	0.0379
29	H9    28.2993   -10.0265     1.4106	H	1	noname	0.0379
30	H10    28.5911   -13.1155     4.1748	H	1	noname	0.2108
31	H11    30.4672   -11.5284     4.0448	H	1	noname	0.0259
32	H12    30.5553   -11.8945     2.3097	H	1	noname	0.0259
33	H13    30.3393   -10.2154     2.8527	H	1	noname	0.0259
34	H14    28.3612   -10.8014     5.0789	H	1	noname	0.0259
35	H15    28.0801    -9.5143     3.8858	H	1	noname	0.0259
36	H16    26.8451   -10.7634     4.1608	H	1	noname	0.0259
@<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	28	1
27	16	29	1
28	17	18	1
29	17	19	1
30	17	20	1
31	18	30	1
32	19	31	1
33	19	32	1
34	19	33	1
35	20	34	1
36	20	35	1
37	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1