@<TRIPOS>MOLECULE
DB01476
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     3.2299     3.1660     0.2999	Br	1	noname	-0.0508
2	C1     1.8404     1.9395     0.4153	C.2	1	noname	-0.0194
3	C2     2.0177     0.6344    -0.1039	C.2	1	noname	-0.0087
4	C3     0.6121     2.3263     1.0249	C.2	1	noname	-0.0267
5	C4     0.9449    -0.3092     0.0061	C.2	1	noname	0.0001
6	C5    -0.5012     1.4419     1.0842	C.2	1	noname	-0.0232
7	C6    -0.3331     0.1346     0.5249	C.2	1	noname	-0.0002
8	C7     1.2021    -1.7757    -0.3066	C.3	1	noname	0.1786
9	N1    -1.4617    -0.6343     0.5526	N.3	1	noname	-0.1323
10	O1     2.4607    -2.0165    -0.9894	O.3	1	noname	-0.3501
11	N2     0.2188    -2.2781    -1.3294	N.3	1	noname	-0.2567
12	C8     1.2877    -2.5084     1.0924	C.2	1	noname	0.0187
13	C9    -1.9902    -1.4366    -0.5133	C.2	1	noname	0.1366
14	C10     2.3200    -3.1858    -1.8131	C.3	1	noname	0.0627
15	C11    -1.1527    -2.6603    -0.9303	C.3	1	noname	0.0759
16	C12     0.8299    -3.4096    -2.0347	C.3	1	noname	0.0257
17	C13     2.2563    -2.1324     2.0157	C.2	1	noname	0.0412
18	C14     0.3944    -3.5283     1.3986	C.2	1	noname	-0.0259
19	O2    -3.0722    -1.1575    -1.0735	O.2	1	noname	-0.2709
20	F1     3.0924    -1.1777     1.7291	F	1	noname	-0.1614
21	C15     2.3316    -2.7763     3.2452	C.2	1	noname	-0.0038
22	C16     0.4697    -4.1723     2.6281	C.2	1	noname	-0.0594
23	C17     1.4383    -3.7963     3.5514	C.2	1	noname	-0.0441
24	H1     2.9604     0.3618    -0.5783	H	1	noname	0.0639
25	H2     0.5219     3.3232     1.4564	H	1	noname	0.0635
26	H3    -1.4422     1.7525     1.5384	H	1	noname	0.0639
27	H4    -1.9474    -0.6071     1.4377	H	1	noname	0.1371
28	H5     2.7729    -2.9389    -2.7734	H	1	noname	0.0581
29	H6     2.7054    -4.0201    -1.2271	H	1	noname	0.0581
30	H7    -1.6139    -3.0714    -1.8283	H	1	noname	0.0528
31	H8    -1.0354    -3.2835    -0.0438	H	1	noname	0.0528
32	H9     0.5325    -4.3207    -1.5154	H	1	noname	0.0455
33	H10     0.6130    -3.2919    -3.0964	H	1	noname	0.0455
34	H11    -0.3651    -3.8232     0.6745	H	1	noname	0.0628
35	H12     3.0912    -2.4815     3.9693	H	1	noname	0.0653
36	H13    -0.2308    -4.9722     2.8682	H	1	noname	0.0622
37	H14     1.4973    -4.3013     4.5156	H	1	noname	0.0623
@<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	2
7	5	8	1
8	6	7	1
9	7	9	1
10	8	10	1
11	8	11	1
12	8	12	1
13	9	13	1
14	10	14	1
15	11	15	1
16	11	16	1
17	12	17	2
18	12	18	1
19	13	19	2
20	13	15	1
21	14	16	1
22	17	20	1
23	17	21	1
24	18	22	2
25	21	23	2
26	22	23	1
27	3	24	1
28	4	25	1
29	6	26	1
30	9	27	1
31	14	28	1
32	14	29	1
33	15	30	1
34	15	31	1
35	16	32	1
36	16	33	1
37	18	34	1
38	21	35	1
39	22	36	1
40	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1