@<TRIPOS>MOLECULE
85816924
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.3046    -1.0032     1.9171	Br	1	noname	-0.0479
2	Br2    -2.6945    -3.4567     0.1717	Br	1	noname	-0.0479
3	Br3     0.6703     2.7875    -3.3175	Br	1	noname	-0.0507
4	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1927
5	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0371
6	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0288
7	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0146
8	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0096
9	C5    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0118
10	C6    -1.8855     0.5345     0.8074	C.2	1	noname	-0.0161
11	C7     0.8517     1.7035    -1.8206	C.2	1	noname	-0.0096
12	C8     1.9941     1.1463     0.2241	C.2	1	noname	-0.0162
13	C9     1.8583     1.9576    -0.8964	C.2	1	noname	-0.0342
14	C10    -3.9119    -1.2563     1.4515	C.2	1	noname	-0.0245
15	C11    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0479
16	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0603
17	H1    -0.7578     0.4515    -2.3027	H	1	noname	0.0662
18	H2    -1.1420     1.1916     0.5711	H	1	noname	0.0650
19	H3     2.7327     1.3327     0.9023	H	1	noname	0.0635
20	H4     2.4973     2.7395    -1.0403	H	1	noname	0.0634
21	H5    -4.6554    -1.9134     1.6879	H	1	noname	0.0635
22	H6    -3.0503     1.9369     1.8404	H	1	noname	0.0623
23	H7    -4.8070     0.3844     2.3988	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	7	1
2	2	9	1
3	3	11	1
4	4	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	1
9	6	10	2
10	7	12	1
11	8	11	2
12	8	17	1
13	9	14	2
14	10	15	1
15	10	18	1
16	11	13	1
17	12	13	2
18	12	19	1
19	13	20	1
20	14	16	1
21	14	21	1
22	15	16	2
23	15	22	1
24	16	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1