@<TRIPOS>MOLECULE
76963830
16 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -1.8526     3.6984     0.6945	Br	1	noname	-0.0320
2	O1     3.6754     2.4236     0.1919	O.2	1	noname	-0.2837
3	N1    -0.5790     1.2946    -0.1431	N.3	1	noname	0.0159
4	N2     3.3806     0.3182    -0.5248	N.3	1	noname	-0.0692
5	N3     0.5899     0.7861    -0.3312	N.2	1	noname	-0.2563
6	C1     1.5200     1.6916    -0.0326	C.2	1	noname	0.0670
7	C2     0.8941     2.8571     0.3737	C.2	1	noname	0.0483
8	C3     2.8939     1.4977    -0.1154	C.2	1	noname	0.0475
9	C4    -0.4523     2.5496     0.2847	C.2	1	noname	-0.0223
10	C5     4.6288    -0.1329    -0.0488	C.3	1	noname	-0.0085
11	H1     1.3232     3.7342     0.6686	H	1	noname	0.0673
12	H2    -1.4204     0.8350    -0.2903	H	1	noname	0.1761
13	H3     2.8742    -0.2253    -1.1486	H	1	noname	0.1310
14	H4     4.4975    -1.0804     0.4738	H	1	noname	0.0396
15	H5     5.0447     0.6055     0.6367	H	1	noname	0.0396
16	H6     5.3091    -0.2725    -0.8889	H	1	noname	0.0396
@<TRIPOS>BOND
1	1	9	1
2	2	8	2
3	3	5	1
4	3	9	1
5	3	12	1
6	4	8	1
7	4	10	1
8	4	13	1
9	5	6	2
10	6	7	1
11	6	8	1
12	7	9	2
13	7	11	1
14	10	14	1
15	10	15	1
16	10	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1