@<TRIPOS>MOLECULE
76962271
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     3.4237     1.3590     1.7283	Br	1	noname	-0.0508
2	O1    -2.4728     0.9138    -0.0964	O.2	1	noname	-0.2869
3	O2    -2.7302    -3.5489     1.2526	O.2	1	noname	-0.2892
4	N1    -3.1473    -1.4276     0.1227	N.3	1	noname	0.0763
5	C1    -0.8994    -0.9705    -0.5686	C.3	1	noname	0.0664
6	C2    -0.8770    -2.0783     0.5056	C.3	1	noname	0.0368
7	C3     0.2579    -0.0124    -0.6663	C.2	1	noname	-0.0413
8	C4    -2.2257    -0.3095    -0.1657	C.2	1	noname	0.0832
9	C5    -2.3227    -2.5016     0.7052	C.2	1	noname	0.0801
10	C6     1.2138     0.1307     0.4071	C.2	1	noname	-0.0275
11	C7     0.3822     0.8096    -1.8555	C.2	1	noname	-0.0510
12	C8     2.2187     1.1296     0.3340	C.2	1	noname	-0.0213
13	C9     1.4057     1.8004    -1.9443	C.2	1	noname	-0.0513
14	C10     2.2894     1.9600    -0.8345	C.2	1	noname	-0.0350
15	H1    -1.0015    -1.4564    -1.5475	H	1	noname	0.0452
16	H2    -0.4853    -1.6722     1.4382	H	1	noname	0.0372
17	H3    -0.2264    -2.9192     0.2655	H	1	noname	0.0372
18	H4    -4.1035    -1.4504    -0.0389	H	1	noname	0.1400
19	H5     1.1663    -0.4865     1.2178	H	1	noname	0.0637
20	H6    -0.2655     0.6787    -2.6324	H	1	noname	0.0625
21	H7     1.5032     2.3790    -2.7786	H	1	noname	0.0623
22	H8     2.9982     2.6924    -0.8735	H	1	noname	0.0634
@<TRIPOS>BOND
1	1	12	1
2	2	8	2
3	3	9	2
4	4	8	1
5	4	9	1
6	4	18	1
7	5	6	1
8	5	7	1
9	5	8	1
10	5	15	1
11	6	9	1
12	6	16	1
13	6	17	1
14	7	10	2
15	7	11	1
16	10	12	1
17	10	19	1
18	11	13	2
19	11	20	1
20	12	14	2
21	13	14	1
22	13	21	1
23	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1