@<TRIPOS>MOLECULE
DB02288
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.0900     5.2939    -0.0546	Br	1	noname	-0.0516
2	C1     4.6927     3.4800    -0.0530	C.2	1	noname	-0.0396
3	C2     3.3682     3.0586    -0.0336	C.2	1	noname	0.0019
4	C3     5.7197     2.5435    -0.0712	C.2	1	noname	-0.0404
5	O1     2.3707     3.9681    -0.0160	O.3	1	noname	-0.8359
6	C4     3.0708     1.7008    -0.0324	C.2	1	noname	-0.0410
7	C5     5.4223     1.1857    -0.0700	C.2	1	noname	-0.0804
8	C6     1.7464     1.2794    -0.0130	C.2	1	noname	-0.0252
9	C7     4.0979     0.7643    -0.0506	C.2	1	noname	-0.0420
10	C8     6.5011     0.2021    -0.0890	C.3	1	noname	-0.0058
11	N1     1.3542    -0.0128    -0.0102	N.2	1	noname	-0.2232
12	N2     0.6790     2.1083     0.0055	N.3	1	noname	-0.0335
13	C9     0.0068    -0.0124     0.0061	C.2	1	noname	0.0187
14	C10    -0.4173     1.3305     0.0613	C.2	1	noname	-0.0581
15	C11    -0.9129    -1.1042     0.0182	C.2	1	noname	0.0260
16	C12    -1.7971     1.6858     0.1920	C.2	1	noname	-0.0242
17	C13    -2.2943    -0.7634     0.1079	C.2	1	noname	0.0074
18	C14    -2.7262     0.6046     0.2133	C.2	1	noname	-0.0103
19	C15    -3.2253    -1.7547     0.0935	C.2	1	noname	0.0024
20	N3    -4.4647    -1.4664     0.1729	N.2	1	noname	0.1640
21	N4    -2.8486    -3.0057    -0.0019	N.3	1	noname	-0.1007
22	H1     6.7583     2.8739    -0.0864	H	1	noname	0.0636
23	H2     3.8647    -0.3004    -0.0496	H	1	noname	0.0632
24	H3     6.7795    -0.0517     0.9338	H	1	noname	0.0279
25	H4     6.1650    -0.6958    -0.6076	H	1	noname	0.0279
26	H5     7.3642     0.6195    -0.6076	H	1	noname	0.0279
27	H6     0.6972     3.1178    -0.0179	H	1	noname	0.1543
28	H7    -0.5792    -2.1404    -0.0380	H	1	noname	0.0655
29	H8    -2.1226     2.7231     0.2710	H	1	noname	0.0643
30	H9    -3.7884     0.8285     0.3121	H	1	noname	0.0632
31	H10    -4.7574    -0.5002     0.2044	H	1	noname	0.2870
32	H11    -5.1538    -2.2041     0.2044	H	1	noname	0.2870
33	H12    -3.5410    -3.7402    -0.0387	H	1	noname	0.1297
34	H13    -1.8659    -3.2358    -0.0387	H	1	noname	0.1297
@<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	6	8	1
8	6	9	2
9	7	10	1
10	7	9	1
11	8	11	2
12	8	12	1
13	11	13	1
14	12	14	1
15	13	15	1
16	13	14	2
17	14	16	1
18	15	17	2
19	16	18	2
20	17	19	1
21	17	18	1
22	19	20	2
23	19	21	1
24	4	22	1
25	9	23	1
26	10	24	1
27	10	25	1
28	10	26	1
29	12	27	1
30	15	28	1
31	16	29	1
32	18	30	1
33	20	31	1
34	20	32	1
35	21	33	1
36	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1