@<TRIPOS>MOLECULE
91810641
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.3046    -1.0032     1.9171	Br	1	noname	-0.0466
2	Br2    -1.3639     0.2985    -2.8593	Br	1	noname	-0.0479
3	Br3     3.3388     1.4858     1.4589	Br	1	noname	-0.0495
4	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1926
5	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0623
6	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0036
7	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0446
8	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0221
9	C5     1.9941     1.1463     0.2241	C.2	1	noname	0.0161
10	C6     0.8517     1.7035    -1.8206	C.2	1	noname	-0.0135
11	C7    -2.8113    -1.6861     0.7195	C.2	1	noname	-0.0236
12	C8    -1.8855     0.5345     0.8074	C.2	1	noname	-0.0236
13	C9     1.8583     1.9576    -0.8964	C.2	1	noname	-0.0266
14	C10    -3.9119    -1.2563     1.4515	C.2	1	noname	-0.0505
15	C11    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0505
16	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0676
17	H1     0.7521     2.2989    -2.6428	H	1	noname	0.0635
18	H2    -2.7471    -2.6586     0.4186	H	1	noname	0.0650
19	H3    -1.1420     1.1916     0.5711	H	1	noname	0.0650
20	H4     2.4973     2.7395    -1.0403	H	1	noname	0.0635
21	H5    -4.6554    -1.9134     1.6879	H	1	noname	0.0623
22	H6    -3.0503     1.9369     1.8404	H	1	noname	0.0623
23	H7    -4.8070     0.3844     2.3988	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	7	1
2	2	8	1
3	3	9	1
4	4	5	1
5	4	6	1
6	5	7	1
7	5	8	2
8	6	11	2
9	6	12	1
10	7	9	2
11	8	10	1
12	9	13	1
13	10	13	2
14	10	17	1
15	11	14	1
16	11	18	1
17	12	15	2
18	12	19	1
19	13	20	1
20	14	16	2
21	14	21	1
22	15	16	1
23	15	22	1
24	16	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1