@<TRIPOS>MOLECULE
DB02257
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     3.4001    -1.9890     0.1348	Br	1	noname	0.0199
2	N1     1.8430    -1.0956    -0.0713	N.3	1	noname	-0.0230
3	C1     0.7024    -1.7725    -0.2624	C.2	1	noname	0.0626
4	C2     1.8282     0.3137    -0.0310	C.3	1	noname	0.0417
5	O1     0.5624    -2.9129     0.2298	O.2	1	noname	-0.2896
6	C3    -0.3769    -1.1778    -1.0455	C.3	1	noname	0.0106
7	C4     0.3962     0.8146    -0.2301	C.3	1	noname	0.0766
8	O2     0.3813     2.2339    -0.1896	O.3	1	noname	-0.1535
9	P1    -1.0600     2.7381    -0.3900	P	1	noname	0.0146
10	O3    -1.0751     4.1774    -0.3489	O.2	1	noname	-0.1967
11	O4    -1.5865     2.2580    -1.7553	O.3	1	noname	-0.1646
12	O5    -1.9585     2.1830     0.7307	O.3	1	noname	-0.1646
13	H1     2.1427     0.5768     0.9790	H	1	noname	0.0470
14	H2     2.4220     0.6331    -0.8874	H	1	noname	0.0470
15	H3    -1.1282    -0.7639    -0.3730	H	1	noname	0.0325
16	H4     0.0254    -0.3834    -1.6740	H	1	noname	0.0325
17	H5    -0.8335    -1.9424    -1.6740	H	1	noname	0.0325
18	H6     0.0831     0.5493    -1.2399	H	1	noname	0.0591
19	H7    -0.1962     0.4930     0.6264	H	1	noname	0.0591
20	H8    -1.5944     1.2983    -1.7757	H	1	noname	0.2283
21	H9    -1.9412     1.2234     0.7091	H	1	noname	0.2283
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	7	8	1
8	8	9	1
9	9	10	2
10	9	11	1
11	9	12	1
12	4	13	1
13	4	14	1
14	6	15	1
15	6	16	1
16	6	17	1
17	7	18	1
18	7	19	1
19	11	20	1
20	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1