@<TRIPOS>MOLECULE
76966967
16 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.1900    -0.3390     0.0991	Br	1	noname	-0.0438
2	O1    -0.4587    -1.5067    -2.2628	O.3	1	noname	-0.3917
3	O2    -1.3575     0.9388     0.7176	O.3	1	noname	-0.2363
4	O3    -0.0225     2.2742     0.1059	O.2	1	noname	-0.2703
5	N1    -0.7885     1.4824    -0.2728	N.2	1	noname	-0.2495
6	C1    -0.1313     0.5235    -1.0071	C.3	1	noname	0.1743
7	C2    -1.1374    -0.5164    -1.5045	C.3	1	noname	0.0883
8	C3     0.5569     1.1810    -2.2049	C.3	1	noname	-0.0170
9	H1    -1.8848    -0.0285    -2.1302	H	1	noname	0.0609
10	H2    -1.6277    -0.9848    -0.6511	H	1	noname	0.0609
11	H3    -0.1905     1.6689    -2.8306	H	1	noname	0.0276
12	H4     1.0778     0.4208    -2.7870	H	1	noname	0.0276
13	H5     1.2736     1.9218    -1.8506	H	1	noname	0.0276
14	H6    -1.1031    -2.1728    -2.5814	H	1	noname	0.2102
15	H7    -1.8259     1.6222     1.2409	H	1	noname	0.2592
16	H8    -1.4297     1.9009    -0.8095	H	1	noname	0.2720
@<TRIPOS>BOND
1	1	6	1
2	2	7	1
3	2	14	1
4	3	5	1
5	3	15	1
6	4	5	2
7	6	5	1
8	5	16	1
9	6	7	1
10	6	8	1
11	7	9	1
12	7	10	1
13	8	11	1
14	8	12	1
15	8	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1