@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3942
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -2.2111    -1.9456     1.6801	Br	1	noname	-0.0455
2	C1    -1.7681    -0.2285     1.1032	C.2	1	noname	0.0565
3	C2    -2.7142     0.8235     1.1002	C.2	1	noname	0.0434
4	C3    -0.4662     0.0535     0.6492	C.2	1	noname	0.0379
5	O1    -3.9883     0.6406     1.5193	O.3	1	noname	-0.2773
6	C4    -2.3502     2.1086     0.6463	C.2	1	noname	-0.0047
7	N1     0.5927    -0.7593     0.5363	N.2	1	noname	-0.2342
8	C5    -0.0972     1.3266     0.2143	C.2	1	noname	-0.0482
9	C6    -1.0422     2.3697     0.1963	C.2	1	noname	-0.0169
10	C7     1.5877    -0.0033     0.0423	C.2	1	noname	-0.0334
11	N2     1.1997     1.2777    -0.1576	N.3	1	noname	-0.0181
12	C8     1.9997     2.2827    -0.6406	C.2	1	noname	-0.0235
13	C9     2.9027     2.0358    -1.6996	C.2	1	noname	-0.0547
14	C10     1.9656     3.5798    -0.0815	C.2	1	noname	-0.0547
15	C11     3.7336     3.0559    -2.1955	C.2	1	noname	-0.0619
16	C12     2.7946     4.6029    -0.5734	C.2	1	noname	-0.0619
17	C13     3.6786     4.3400    -1.6325	C.2	1	noname	-0.0850
18	H1    -4.1963    -0.2663     1.8264	H	1	noname	0.2182
19	H2    -3.0433     2.8577     0.6403	H	1	noname	0.0651
20	H3    -0.7942     3.2998    -0.1406	H	1	noname	0.0644
21	H4     2.5257    -0.3612    -0.1445	H	1	noname	0.1019
22	H5     2.9526     1.1088    -2.1235	H	1	noname	0.0642
23	H6     1.3445     3.7839     0.7025	H	1	noname	0.0642
24	H7     4.3766     2.8619    -2.9635	H	1	noname	0.0623
25	H8     2.7576     5.5340    -0.1584	H	1	noname	0.0623
26	H9     4.2816     5.0810    -1.9904	H	1	noname	0.0622
@<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	1
7	4	8	2
8	5	18	1
9	6	9	2
10	6	19	1
11	7	10	2
12	8	11	1
13	8	9	1
14	9	20	1
15	10	11	1
16	10	21	1
17	11	12	1
18	12	13	2
19	12	14	1
20	13	15	1
21	13	22	1
22	14	16	2
23	14	23	1
24	15	17	2
25	15	24	1
26	16	17	1
27	16	25	1
28	17	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1