@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3566
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     0.0000     5.3074    -1.7669	Br	1	noname	-0.0490
2	C1     1.1349     4.9474    -0.3299	C.2	1	noname	-0.0233
3	C2     0.8069     3.9885     0.6580	C.2	1	noname	-0.0062
4	C3     2.3499     5.6565    -0.2459	C.2	1	noname	-0.0373
5	N1    -0.3810     3.3266     0.5931	N.3	1	noname	0.0099
6	C4     1.6978     3.7786     1.7341	C.2	1	noname	-0.0504
7	C5     3.2338     5.4255     0.8200	C.2	1	noname	-0.0754
8	C6    -0.5751     1.9866     0.7401	C.2	1	noname	0.0373
9	C7     2.9068     4.4876     1.8121	C.2	1	noname	-0.0603
10	N2     0.4697     1.1537     0.9832	N.2	1	noname	-0.2420
11	C8    -1.8722     1.4407     0.6252	C.2	1	noname	-0.0124
12	C9     0.3227    -0.1821     1.1282	C.2	1	noname	0.0406
13	C10    -2.0012     0.0387     0.7802	C.2	1	noname	0.0463
14	C11    -3.0262     2.2117     0.3652	C.2	1	noname	0.0264
15	N3    -0.9102    -0.7251     1.0262	N.2	1	noname	-0.2517
16	C12    -3.2642    -0.5681     0.6843	C.2	1	noname	0.0378
17	C13    -4.2902     1.6058     0.2553	C.2	1	noname	0.0453
18	C14    -4.4083     0.2088     0.4353	C.2	1	noname	0.0600
19	O1    -5.3422     2.4338    -0.0086	O.3	1	noname	-0.2654
20	O2    -5.6103    -0.4220     0.3893	O.3	1	noname	-0.2629
21	C15    -6.3673     2.0769    -0.9395	C.3	1	noname	0.0424
22	C16    -6.4343    -0.3660     1.5554	C.3	1	noname	0.0424
23	H1     2.5988     6.3455    -0.9568	H	1	noname	0.0635
24	H2    -1.1571     3.8586     0.3631	H	1	noname	0.1357
25	H3     1.4658     3.1086     2.4681	H	1	noname	0.0639
26	H4     4.1117     5.9426     0.8761	H	1	noname	0.0623
27	H5     3.5457     4.3247     2.5912	H	1	noname	0.0623
28	H6     1.1336    -0.7731     1.3132	H	1	noname	0.1062
29	H7    -2.9542     3.2228     0.2463	H	1	noname	0.0659
30	H8    -3.3543    -1.5780     0.8053	H	1	noname	0.0674
31	H9    -6.9853     2.9539    -1.1285	H	1	noname	0.0535
32	H10    -5.9263     1.7459    -1.8815	H	1	noname	0.0535
33	H11    -7.0033     1.2889    -0.5375	H	1	noname	0.0535
34	H12    -7.3593    -0.9079     1.3595	H	1	noname	0.0535
35	H13    -5.9254    -0.8309     2.4014	H	1	noname	0.0535
36	H14    -6.6784     0.6689     1.8034	H	1	noname	0.0535
@<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	23	1
8	5	8	1
9	5	24	1
10	6	9	2
11	6	25	1
12	7	9	1
13	7	26	1
14	8	10	2
15	8	11	1
16	9	27	1
17	10	12	1
18	11	13	1
19	11	14	2
20	12	15	2
21	12	28	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	29	1
26	16	18	1
27	16	30	1
28	17	19	1
29	17	18	2
30	18	20	1
31	19	21	1
32	20	22	1
33	21	31	1
34	21	32	1
35	21	33	1
36	22	34	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1