@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439715
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    14.2841    -8.2339     1.5900	S.3	1	noname	-0.1497
2	C1    14.5100    -6.7119     0.7820	C.2	1	noname	0.1124
3	C2    13.7201    -7.3128     2.9390	C.2	1	noname	0.0473
4	N1    14.1840    -5.6178     1.4921	N.2	1	noname	-0.1907
5	N2    14.9740    -6.5748    -0.4778	N.3	1	noname	-0.0936
6	C3    13.7360    -5.9388     2.7110	C.2	1	noname	0.0374
7	C4    13.2740    -7.8328     4.1640	C.2	1	noname	0.0045
8	C5    15.3289    -7.5907    -1.2957	C.2	1	noname	0.1372
9	C6    13.3060    -5.0418     3.7011	C.2	1	noname	-0.0035
10	C7    12.8400    -6.9458     5.1760	C.2	1	noname	-0.0235
11	O1    15.2609    -8.7927    -0.9557	O.2	1	noname	-0.2752
12	C8    15.8129    -7.2857    -2.6416	C.3	1	noname	0.0099
13	C9    12.8539    -5.5518     4.9331	C.2	1	noname	-0.0260
14	C10    12.3659    -7.4557     6.4040	C.2	1	noname	-0.0095
15	C11    13.1548    -7.5147     7.5880	C.2	1	noname	0.0153
16	C12    11.0419    -7.9417     6.4400	C.2	1	noname	0.0119
17	C13    12.5638    -8.0546     8.7550	C.2	1	noname	-0.0008
18	C14    14.5727    -7.0396     7.6241	C.3	1	noname	0.4168
19	N3    10.5289    -8.4476     7.5851	N.2	1	noname	-0.2633
20	C15    11.2398    -8.5165     8.7310	C.2	1	noname	0.0293
21	F1    15.2107    -7.2356     8.8291	F	1	noname	-0.1661
22	F2    15.3337    -7.6986     6.6891	F	1	noname	-0.1661
23	F3    14.6387    -5.6886     7.3841	F	1	noname	-0.1661
24	N4    10.6698    -9.0285     9.8291	N.3	1	noname	-0.1188
25	H1    15.0579    -5.6728    -0.8227	H	1	noname	0.1394
26	H2    13.2670    -8.8437     4.3120	H	1	noname	0.0644
27	H3    13.3169    -4.0368     3.5301	H	1	noname	0.0646
28	H4    15.1568    -7.7537    -3.3755	H	1	noname	0.0324
29	H5    16.8228    -7.6787    -2.7596	H	1	noname	0.0324
30	H6    15.8258    -6.2077    -2.8076	H	1	noname	0.0324
31	H7    12.5339    -4.9008     5.6531	H	1	noname	0.0629
32	H8    10.4529    -7.9166     5.6041	H	1	noname	0.0846
33	H9    13.0927    -8.1146     9.6261	H	1	noname	0.0662
34	H10    11.1687    -9.0854    10.6581	H	1	noname	0.1257
35	H11     9.7528    -9.3435     9.7911	H	1	noname	0.1257
@<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	25	1
10	6	9	1
11	7	10	2
12	7	26	1
13	8	11	2
14	8	12	1
15	9	13	2
16	9	27	1
17	10	14	1
18	10	13	1
19	12	28	1
20	12	29	1
21	12	30	1
22	13	31	1
23	14	15	2
24	14	16	1
25	15	17	1
26	15	18	1
27	16	19	2
28	16	32	1
29	17	20	2
30	17	33	1
31	18	21	1
32	18	22	1
33	18	23	1
34	19	20	1
35	20	24	1
36	24	34	1
37	24	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1