@<TRIPOS>MOLECULE
DB02132
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.5625     1.6191     5.4695	Br	1	noname	-0.0507
2	C1     4.8895     1.5253     3.7413	C.2	1	noname	-0.0065
3	C2     5.2537     0.4727     2.9097	C.2	1	noname	0.0193
4	C3     4.0215     2.5078     3.2792	C.2	1	noname	-0.0358
5	C4     4.7500     0.4026     1.6161	C.2	1	noname	0.0394
6	C5     3.5177     2.4376     1.9856	C.2	1	noname	-0.0281
7	F1     5.0909    -0.5826     0.8378	F	1	noname	-0.1624
8	C6     3.8819     1.3850     1.1541	C.2	1	noname	0.0067
9	C7     3.3528     1.3113    -0.2046	C.3	1	noname	0.0432
10	N1     1.9455     1.2370    -0.1576	N.3	1	noname	0.0993
11	C8     1.2184     2.4110    -0.1757	C.2	1	noname	0.0902
12	C9     1.3520    -0.0001    -0.0956	C.2	1	noname	0.0655
13	O1     1.7785     3.5270    -0.2324	O.2	1	noname	-0.2633
14	N2    -0.1568     2.2935    -0.1281	N.3	1	noname	-0.1093
15	O2     2.0721    -1.0218    -0.0827	O.2	1	noname	-0.2851
16	C10    -0.0655    -0.1475    -0.0457	C.2	1	noname	0.0178
17	C11    -0.7939     1.0783    -0.0655	C.2	1	noname	0.0335
18	C12    -0.9376     3.4675    -0.1445	C.3	1	noname	0.0982
19	C13    -0.6265    -1.2800     0.5329	C.2	1	noname	0.0021
20	C14    -2.1815     1.0441     0.0097	C.2	1	noname	0.0135
21	C15    -1.1637     3.9207     1.2248	C.2	1	noname	0.1427
22	C16    -1.8976    -1.2177     1.0921	C.2	1	noname	-0.0129
23	C17    -2.7577    -0.1329     0.6255	C.2	1	noname	0.0120
24	O3    -0.7687     5.0516     1.5821	O.2	1	noname	-0.2504
25	O4    -1.7994     3.1185     2.1051	O.3	1	noname	-0.2146
26	Cl1    -4.4308    -0.2522     0.8052	Cl	1	noname	-0.0789
27	H1     5.9344    -0.2977     3.2721	H	1	noname	0.0665
28	H2     3.7359     3.3332     3.9313	H	1	noname	0.0634
29	H3     2.8370     3.2080     1.6233	H	1	noname	0.0627
30	H4     3.5907     2.2536    -0.6982	H	1	noname	0.0493
31	H5     3.6923     0.3694    -0.6356	H	1	noname	0.0493
32	H6    -0.3346     4.2263    -0.6432	H	1	noname	0.0548
33	H7    -1.9055     3.1826    -0.5571	H	1	noname	0.0548
34	H8    -0.0698    -2.2170     0.5480	H	1	noname	0.0631
35	H9    -2.7702     1.8733    -0.3826	H	1	noname	0.0655
36	H10    -2.1950    -1.9579     1.8348	H	1	noname	0.0638
37	H11    -1.5835     3.3909     3.0000	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	8	1
9	8	9	1
10	9	10	1
11	10	11	1
12	10	12	1
13	11	13	2
14	11	14	1
15	12	15	2
16	12	16	1
17	14	17	1
18	14	18	1
19	16	19	1
20	16	17	2
21	17	20	1
22	18	21	1
23	19	22	2
24	20	23	2
25	21	24	2
26	21	25	1
27	22	23	1
28	23	26	1
29	3	27	1
30	4	28	1
31	6	29	1
32	9	30	1
33	9	31	1
34	18	32	1
35	18	33	1
36	19	34	1
37	20	35	1
38	22	36	1
39	25	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1