@<TRIPOS>MOLECULE
DB06949
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     9.5945     4.8178    -4.3786	Br	1	noname	-0.0450
2	C1     8.7833     4.2973    -2.7913	C.2	1	noname	0.0416
3	C2     9.4482     4.4675    -1.5826	C.2	1	noname	0.0622
4	C3     7.5111     3.7376    -2.8119	C.2	1	noname	0.0554
5	O1    10.6838     5.0111    -1.5625	O.3	1	noname	-0.2707
6	C4     8.8410     4.0779    -0.3944	C.2	1	noname	0.0033
7	O2     6.8653     3.5724    -3.9858	O.3	1	noname	-0.2729
8	C5     6.9039     3.3481    -1.6238	C.2	1	noname	-0.0046
9	Br2     9.7294     4.3052     1.2204	Br	1	noname	-0.0479
10	C6     7.5688     3.5182    -0.4150	C.2	1	noname	0.0069
11	C7     5.6592     2.8004    -1.6439	C.2	1	noname	0.0248
12	N1     5.1022     2.4431    -0.5541	N.2	1	noname	-0.2690
13	N2     3.9536     1.9377    -0.5727	N.3	1	noname	0.0608
14	C8     3.3682     1.5622     0.5727	C.2	1	noname	0.0535
15	O3     3.9662     1.7152     1.6597	O.2	1	noname	-0.2844
16	C9     2.0961     1.0025     0.5521	C.2	1	noname	-0.0046
17	C10     1.6771     0.2694    -0.5521	C.2	1	noname	-0.0004
18	C11     1.2429     1.1758     1.6357	C.2	1	noname	-0.0092
19	C12     0.4049    -0.2903    -0.5727	C.2	1	noname	-0.0264
20	C13    -0.0293     0.6161     1.6151	C.2	1	noname	-0.0314
21	C14    -0.4483    -0.1170     0.5109	C.2	1	noname	-0.0245
22	C15    -0.0141    -1.0233    -1.6769	C.2	1	noname	-0.0458
23	C16    -1.7204    -0.6767     0.4903	C.2	1	noname	-0.0439
24	C17    -1.2862    -1.5830    -1.6975	C.2	1	noname	-0.0568
25	C18    -2.1394    -1.4097    -0.6139	C.2	1	noname	-0.0566
26	H1    10.9644     5.1345    -0.6528	H	1	noname	0.2182
27	H2     6.7656     2.6349    -4.1670	H	1	noname	0.2182
28	H3     7.0927     3.2127     0.5167	H	1	noname	0.0643
29	H4     5.0911     2.6432    -2.5608	H	1	noname	0.0860
30	H5     3.5159     1.8369    -1.4773	H	1	noname	0.1593
31	H6     2.3461     0.1335    -1.4018	H	1	noname	0.0637
32	H7     1.5714     1.7506     2.5015	H	1	noname	0.0630
33	H8    -0.6983     0.7520     2.4648	H	1	noname	0.0629
34	H9     0.6550    -1.1592    -2.5266	H	1	noname	0.0629
35	H10    -2.3895    -0.5408     1.3400	H	1	noname	0.0629
36	H11    -1.6148    -2.1579    -2.5633	H	1	noname	0.0622
37	H12    -3.1370    -1.8486    -0.6300	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	6	9	1
9	6	10	2
10	8	11	1
11	8	10	1
12	11	12	2
13	12	13	1
14	13	14	1
15	14	15	2
16	14	16	1
17	16	17	2
18	16	18	1
19	17	19	1
20	18	20	2
21	19	21	1
22	19	22	2
23	20	21	1
24	21	23	2
25	22	24	1
26	23	25	1
27	24	25	2
28	5	26	1
29	7	27	1
30	10	28	1
31	11	29	1
32	13	30	1
33	17	31	1
34	18	32	1
35	20	33	1
36	22	34	1
37	23	35	1
38	24	36	1
39	25	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1