@<TRIPOS>MOLECULE
DB04806
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     0.9858    -0.8162     4.2766	Br	1	noname	-0.0491
2	C1     0.9674    -0.6105     2.4311	C.2	1	noname	0.0184
3	C2    -0.0433     0.1934     1.8288	C.2	1	noname	0.0456
4	C3     1.9714    -1.2646     1.6411	C.2	1	noname	-0.0141
5	Cl1    -1.2365     0.9479     2.7524	Cl	1	noname	-0.0665
6	C4    -0.0005     0.3317     0.4074	C.2	1	noname	0.0318
7	C5     2.0081    -1.1149     0.2217	C.2	1	noname	-0.0322
8	C6     1.0021    -0.2912    -0.3720	C.2	1	noname	-0.0672
9	C7    -0.7300     1.1078    -0.4981	C.2	1	noname	0.0303
10	N1     0.8563     0.0425    -1.6554	N.3	1	noname	-0.0825
11	O1    -1.6855     2.0411    -0.1787	O.3	1	noname	-0.2418
12	C8    -0.2067     0.8668    -1.7686	C.2	1	noname	-0.0972
13	C9    -1.1128     3.3712     0.0918	C.3	1	noname	0.1923
14	O2    -2.2147     4.3502     0.2175	O.3	1	noname	-0.3409
15	C10    -0.0625     3.4015     1.2679	C.3	1	noname	0.1338
16	C11    -2.1218     5.4740     1.1566	C.3	1	noname	0.1124
17	O3     0.8784     4.4395     1.0357	O.3	1	noname	-0.3849
18	C12    -0.8215     3.6794     2.5865	C.3	1	noname	0.1134
19	C13    -1.5239     5.0650     2.5396	C.3	1	noname	0.1112
20	C14    -1.2684     6.5844     0.5403	C.3	1	noname	0.0722
21	O4     0.0913     3.6480     3.6738	O.3	1	noname	-0.3873
22	O5    -2.5419     5.1133     3.5284	O.3	1	noname	-0.3874
23	O6    -1.8678     7.0262    -0.6688	O.3	1	noname	-0.3934
24	H1     2.7211    -1.8877     2.1289	H	1	noname	0.0635
25	H2     2.7704    -1.6075    -0.3820	H	1	noname	0.0642
26	H3     1.4479    -0.2740    -2.4103	H	1	noname	0.1523
27	H4    -0.5753     1.2653    -2.7138	H	1	noname	0.0817
28	H5    -0.5674     3.6514    -0.8093	H	1	noname	0.0956
29	H6     0.5468     2.4999     1.3309	H	1	noname	0.0682
30	H7    -3.1551     5.7955     1.2876	H	1	noname	0.0657
31	H8     1.1898     4.7831     1.8762	H	1	noname	0.2108
32	H9    -1.5379     2.8840     2.7921	H	1	noname	0.0658
33	H10    -0.7851     5.8156     2.8205	H	1	noname	0.0657
34	H11    -1.2974     7.4437     1.2102	H	1	noname	0.0591
35	H12    -0.3110     6.1522     0.2493	H	1	noname	0.0591
36	H13     0.2842     2.7361     3.9035	H	1	noname	0.2106
37	H14    -2.1418     5.0943     4.4008	H	1	noname	0.2106
38	H15    -2.1279     6.2655    -1.1936	H	1	noname	0.2101
@<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	2
8	6	9	1
9	7	8	1
10	8	10	1
11	9	11	1
12	9	12	2
13	10	12	1
14	13	11	1
15	13	14	1
16	13	15	1
17	14	16	1
18	15	17	1
19	15	18	1
20	16	19	1
21	16	20	1
22	18	21	1
23	18	19	1
24	19	22	1
25	20	23	1
26	4	24	1
27	7	25	1
28	10	26	1
29	12	27	1
30	13	28	1
31	15	29	1
32	16	30	1
33	17	31	1
34	18	32	1
35	19	33	1
36	20	34	1
37	20	35	1
38	21	36	1
39	22	37	1
40	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1