@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3537
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.0178     7.2953     4.6542	Br	1	noname	-0.0507
2	C1     2.3818     5.9842     3.3841	C.2	1	noname	-0.0249
3	C2     1.3367     5.2012     2.8571	C.2	1	noname	-0.0324
4	C3     3.7008     5.7743     2.9431	C.2	1	noname	-0.0570
5	C4     1.6017     4.1992     1.9031	C.2	1	noname	-0.0232
6	C5     3.9718     4.7893     1.9791	C.2	1	noname	-0.0547
7	N1     0.5466     3.4962     1.4161	N.3	1	noname	0.0060
8	C6     2.9267     4.0083     1.4571	C.2	1	noname	-0.0552
9	C7     0.4895     2.1532     1.1951	C.2	1	noname	0.0483
10	N2     1.5536     1.3542     1.4682	N.2	1	noname	-0.2328
11	C8    -0.6955     1.5672     0.6962	C.2	1	noname	-0.0052
12	C9     1.5325     0.0152     1.2762	C.2	1	noname	0.0519
13	C10    -0.6925     0.1632     0.5042	C.2	1	noname	0.0550
14	C11    -1.8596     2.3033     0.3832	C.2	1	noname	0.0072
15	N3     0.4094    -0.5647     0.7963	N.2	1	noname	-0.2434
16	C12    -1.8366    -0.4817     0.0052	C.2	1	noname	0.0010
17	C13    -3.0167     1.6553    -0.1007	C.2	1	noname	-0.0103
18	C14    -2.9897     0.2623    -0.2977	C.2	1	noname	-0.0072
19	N4    -4.1578     2.3124    -0.4347	N.3	1	noname	-0.1134
20	C15    -4.6908     3.3785     0.2063	C.2	1	noname	0.1277
21	O1    -5.7629     3.8376    -0.2456	O.2	1	noname	-0.2329
22	O2    -4.1138     3.9266     1.3134	O.3	1	noname	-0.1906
23	C16    -4.7239     5.0557     1.9425	C.3	1	noname	0.0467
24	H1     0.3766     5.3533     3.1712	H	1	noname	0.0651
25	H2     4.4688     6.3354     3.3162	H	1	noname	0.0634
26	H3     4.9288     4.6423     1.6551	H	1	noname	0.0623
27	H4    -0.2664     3.9993     1.2582	H	1	noname	0.1357
28	H5     3.1337     3.3053     0.7471	H	1	noname	0.0639
29	H6     2.3535    -0.5497     1.4923	H	1	noname	0.1062
30	H7    -1.8666     3.3164     0.5002	H	1	noname	0.0647
31	H8    -1.8336    -1.4927    -0.1377	H	1	noname	0.0646
32	H9    -3.8138    -0.2186    -0.6617	H	1	noname	0.0640
33	H10    -4.6679     1.9595    -1.1797	H	1	noname	0.1395
34	H11    -4.1179     5.3557     2.7976	H	1	noname	0.0536
35	H12    -4.7869     5.8898     1.2415	H	1	noname	0.0536
36	H13    -5.7260     4.7967     2.2906	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	24	1
6	4	6	2
7	4	25	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	26	1
12	7	9	1
13	7	27	1
14	8	28	1
15	9	10	2
16	9	11	1
17	10	12	1
18	11	13	1
19	11	14	2
20	12	15	2
21	12	29	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	30	1
26	16	18	1
27	16	31	1
28	17	19	1
29	17	18	2
30	18	32	1
31	19	20	1
32	19	33	1
33	20	21	2
34	20	22	1
35	22	23	1
36	23	34	1
37	23	35	1
38	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1