@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3550
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.3437     4.9049     3.2389	Br	1	noname	-0.0507
2	C1     4.2227     4.9860     1.7539	C.2	1	noname	-0.0249
3	C2     3.0276     4.2410     1.7299	C.2	1	noname	-0.0323
4	C3     4.5636     5.7940     0.6539	C.2	1	noname	-0.0570
5	C4     2.1746     4.2910     0.6060	C.2	1	noname	-0.0232
6	C5     3.7116     5.8611    -0.4599	C.2	1	noname	-0.0547
7	N1     0.9985     3.6151     0.5421	N.3	1	noname	0.0082
8	C6     2.5195     5.1171    -0.4809	C.2	1	noname	-0.0552
9	C7     0.7894     2.3131     0.8891	C.2	1	noname	0.0620
10	N2     1.8124     1.5422     1.3422	N.2	1	noname	-0.2512
11	C8    -0.4955     1.7402     0.7682	C.2	1	noname	-0.0279
12	C9     1.6534     0.2462     1.6912	C.2	1	noname	0.0670
13	C10    -0.6365     0.3852     1.1362	C.2	1	noname	0.0788
14	C11    -1.6345     2.4442     0.3372	C.2	1	noname	0.0559
15	N3     0.4303    -0.3186     1.5823	N.2	1	noname	-0.2603
16	C12    -1.8816    -0.2466     1.0162	C.2	1	noname	0.0197
17	C13    -2.9106     1.8333     0.2662	C.2	1	noname	0.0396
18	C14    -3.0216     0.4303     0.5163	C.2	1	noname	0.0712
19	N4    -3.9896     2.6643     0.0673	N.2	1	noname	-0.0116
20	N5    -4.1507    -0.3286     0.2463	N.3	1	noname	-0.1163
21	O1    -5.1157     2.3454     0.3353	O.2	1	noname	-0.1433
22	O2    -3.8636     3.8204    -0.2566	O.3	1	noname	-0.1433
23	C15    -5.0697    -0.0305    -0.8106	C.3	1	noname	-0.0087
24	C16    -4.4037    -1.5745     0.9073	C.3	1	noname	-0.0087
25	H1     2.7716     3.6640     2.5320	H	1	noname	0.0651
26	H2     5.4276     6.3391     0.6580	H	1	noname	0.0634
27	H3     3.9575     6.4511    -1.2549	H	1	noname	0.0623
28	H4     0.2435     4.0961     0.1721	H	1	noname	0.1357
29	H5     1.9055     5.1751    -1.2938	H	1	noname	0.0639
30	H6     2.4464    -0.2996     2.0283	H	1	noname	0.1062
31	H7    -1.5496     3.4393     0.1242	H	1	noname	0.0655
32	H8    -1.9326    -1.2376     1.2473	H	1	noname	0.0663
33	H9    -6.0478     0.2114    -0.3925	H	1	noname	0.0398
34	H10    -4.7308     0.7874    -1.4465	H	1	noname	0.0398
35	H11    -5.1748    -0.9095    -1.4495	H	1	noname	0.0398
36	H12    -5.4058    -1.9415     0.6804	H	1	noname	0.0398
37	H13    -3.6868    -2.3294     0.5814	H	1	noname	0.0398
38	H14    -4.3298    -1.4445     1.9884	H	1	noname	0.0398
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	25	1
6	4	6	2
7	4	26	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	27	1
12	7	9	1
13	7	28	1
14	8	29	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	30	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	31	1
26	16	18	1
27	16	32	1
28	17	19	1
29	17	18	2
30	18	20	1
31	19	21	2
32	19	22	1
33	20	23	1
34	20	24	1
35	23	33	1
36	23	34	1
37	23	35	1
38	24	36	1
39	24	37	1
40	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1