@<TRIPOS>MOLECULE
DB07327
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     0.0186    -1.7110     1.7618	Br	1	noname	-0.0504
2	C1     0.4474    -0.1721     0.7928	C.2	1	noname	-0.0031
3	C2     1.3610    -0.1271    -0.3284	C.2	1	noname	0.0087
4	C3    -0.2199     1.0150     1.1935	C.2	1	noname	-0.0293
5	C4     1.3730     1.0535    -1.1446	C.2	1	noname	-0.0031
6	C5     2.3671    -1.1987    -0.6264	C.3	1	noname	0.1129
7	C6    -0.0864     2.2154     0.4506	C.2	1	noname	-0.0444
8	Br2     2.2790     1.2599    -2.7714	Br	1	noname	-0.0504
9	C7     0.6958     2.2296    -0.7245	C.2	1	noname	-0.0293
10	N1     3.5052    -1.1601     0.2685	N.3	1	noname	-0.1263
11	C8     1.9538    -2.5772    -0.8229	C.2	1	noname	0.0436
12	C9     4.4735    -0.1883     0.4974	C.2	1	noname	0.0029
13	O1     0.8282    -3.0409    -0.8763	O.2	1	noname	-0.2908
14	N2     2.9494    -3.4627    -0.9653	N.3	1	noname	-0.0837
15	C10     5.4162    -0.4261     1.5564	C.2	1	noname	-0.0404
16	C11     4.5561     1.0466    -0.2393	C.2	1	noname	-0.0622
17	C12     5.3858    -1.6342     2.2433	C.2	1	noname	0.0925
18	C13     6.3886     0.5676     1.9139	C.2	1	noname	-0.0250
19	C14     5.5090     2.0564     0.1014	C.2	1	noname	-0.0417
20	O2     6.2017    -1.8495     3.1655	O.2	1	noname	-0.2975
21	C15     4.4009    -2.6515     1.8877	C.3	1	noname	-0.0009
22	C16     6.4096     1.7944     1.1791	C.2	1	noname	-0.0850
23	C17     5.5602     3.3186    -0.6305	C.3	1	noname	0.0008
24	H1    -0.8452     1.0045     2.0863	H	1	noname	0.0634
25	H2     2.6538    -0.9253    -1.6418	H	1	noname	0.0618
26	H3    -0.5844     3.1264     0.7824	H	1	noname	0.0623
27	H4     0.7766     3.1476    -1.3066	H	1	noname	0.0634
28	H5     3.6532    -1.9733     0.8489	H	1	noname	0.1293
29	H6     2.7433    -4.4500    -1.0190	H	1	noname	0.1272
30	H7     3.9059    -3.1428    -1.0190	H	1	noname	0.1272
31	H8     3.8801     1.2214    -1.0763	H	1	noname	0.0642
32	H9     7.0954     0.3945     2.7254	H	1	noname	0.0630
33	H10     3.9817    -3.0846     2.7959	H	1	noname	0.0313
34	H11     3.6034    -2.1958     1.3008	H	1	noname	0.0313
35	H12     4.8823    -3.4338     1.3008	H	1	noname	0.0313
36	H13     7.1389     2.5577     1.4503	H	1	noname	0.0625
37	H14     5.5938     4.1475     0.0765	H	1	noname	0.0279
38	H15     6.4517     3.3393    -1.2573	H	1	noname	0.0279
39	H16     4.6732     3.4114    -1.2573	H	1	noname	0.0279
@<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	2
7	5	8	1
8	5	9	2
9	6	10	1
10	6	11	1
11	7	9	1
12	10	12	1
13	11	13	2
14	11	14	1
15	12	15	2
16	12	16	1
17	15	17	1
18	15	18	1
19	16	19	2
20	17	20	2
21	17	21	1
22	18	22	2
23	19	23	1
24	19	22	1
25	4	24	1
26	6	25	1
27	7	26	1
28	9	27	1
29	10	28	1
30	14	29	1
31	14	30	1
32	16	31	1
33	18	32	1
34	21	33	1
35	21	34	1
36	21	35	1
37	22	36	1
38	23	37	1
39	23	38	1
40	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1