@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443661
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1     6.3962   -17.3541     2.5896	F	1	noname	-0.1635
2	C1     7.1271   -17.1920     1.5217	C.2	1	noname	0.0309
3	C2     6.7101   -16.3491     0.4658	C.2	1	noname	0.0036
4	C3     8.3540   -17.8760     1.4407	C.2	1	noname	-0.0065
5	C4     7.5410   -16.2110    -0.6660	C.2	1	noname	-0.0366
6	C5     5.4301   -15.6131     0.5048	C.3	1	noname	0.0314
7	C6     9.1720   -17.7279     0.3078	C.2	1	noname	-0.0448
8	C7     8.7649   -16.8949    -0.7460	C.2	1	noname	-0.0620
9	N1     5.6711   -14.2141     0.5358	N.3	1	noname	-0.0424
10	C8     4.6721   -13.3121     0.5408	C.2	1	noname	0.1562
11	O1     3.3541   -13.5950     0.5139	O.3	1	noname	-0.3199
12	N2     4.8540   -11.9851     0.5729	N.2	1	noname	-0.1360
13	C9     2.7531   -12.3870     0.5309	C.2	1	noname	0.1127
14	N3     3.6880   -11.4240     0.5659	N.2	1	noname	-0.1262
15	C10     1.3641   -12.1850     0.5130	C.2	1	noname	0.0057
16	C11     0.6581   -10.9830     0.5290	C.2	1	noname	0.0020
17	C12     0.3931   -13.1879     0.4740	C.2	1	noname	-0.0618
18	C13    -0.6978   -11.2980     0.4981	C.2	1	noname	0.0650
19	C14     1.0580    -9.6370     0.5680	C.2	1	noname	-0.0246
20	N4    -0.8308   -12.6299     0.4661	N.3	1	noname	-0.0017
21	N5    -1.6468   -10.3320     0.5051	N.2	1	noname	-0.2522
22	C15     0.0620    -8.6410     0.5751	C.2	1	noname	-0.0520
23	C16    -1.2969    -9.0170     0.5422	C.2	1	noname	-0.0029
24	H1     8.6550   -18.4829     2.2037	H	1	noname	0.0653
25	H2     7.2520   -15.6090    -1.4380	H	1	noname	0.0627
26	H3     4.8481   -15.8670    -0.3841	H	1	noname	0.0484
27	H4     4.8451   -15.8890     1.3838	H	1	noname	0.0484
28	H5    10.0609   -18.2259     0.2518	H	1	noname	0.0623
29	H6     9.3579   -16.7879    -1.5700	H	1	noname	0.0622
30	H7     6.5860   -13.8920     0.5558	H	1	noname	0.1321
31	H8     0.5781   -14.1908     0.4541	H	1	noname	0.0797
32	H9     2.0449    -9.3800     0.5911	H	1	noname	0.0630
33	H10    -1.6728   -13.1109     0.4411	H	1	noname	0.1537
34	H11     0.3220    -7.6540     0.6031	H	1	noname	0.0639
35	H12    -2.0229    -8.3000     0.5462	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	24	1
8	5	8	2
9	5	25	1
10	6	9	1
11	6	26	1
12	6	27	1
13	7	8	1
14	7	28	1
15	8	29	1
16	9	10	1
17	9	30	1
18	10	11	1
19	10	12	2
20	11	13	1
21	12	14	1
22	13	15	1
23	13	14	2
24	15	16	1
25	15	17	2
26	16	18	2
27	16	19	1
28	17	20	1
29	17	31	1
30	18	21	1
31	18	20	1
32	19	22	2
33	19	32	1
34	20	33	1
35	21	23	2
36	22	23	1
37	22	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
