@<TRIPOS>MOLECULE
DB01997
17 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -1.9020     2.2316    -0.2496	Br	1	noname	-0.0263
2	C1    -0.2717     1.3631    -0.0594	C.2	1	noname	0.0802
3	N1     0.9529     1.9270     0.0046	N.2	1	noname	-0.2471
4	C2    -0.0540    -0.0052     0.0473	C.2	1	noname	0.0401
5	N2     1.8956     1.0326     0.1071	N.3	1	noname	0.0081
6	C3     1.3324    -0.1850     0.1588	C.2	1	noname	0.0138
7	C4    -0.9796    -1.0769     0.2239	C.2	1	noname	-0.0010
8	C5     1.9165    -1.4533     0.4668	C.2	1	noname	0.0554
9	C6    -0.4177    -2.3471     0.5683	C.2	1	noname	-0.0261
10	N3     3.2090    -1.6185     0.5394	N.2	1	noname	-0.0055
11	C7     1.0021    -2.5311     0.6908	C.2	1	noname	0.0278
12	O1     3.9177    -0.9612    -0.1110	O.2	1	noname	-0.1425
13	O2     3.6924    -2.4922     1.3160	O.3	1	noname	-0.1425
14	H1     2.8826     1.2444     0.1404	H	1	noname	0.1756
15	H2    -2.0533    -0.9337     0.1026	H	1	noname	0.0630
16	H3    -1.0849    -3.1916     0.7410	H	1	noname	0.0623
17	H4     1.3949    -3.5116     0.9599	H	1	noname	0.0647
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	6	1
8	6	8	1
9	7	9	2
10	8	10	1
11	8	11	2
12	9	11	1
13	10	12	2
14	10	13	1
15	5	14	1
16	7	15	1
17	9	16	1
18	11	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1