@<TRIPOS>MOLECULE
71587804
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.3140    -3.2820     3.0963	Br	1	noname	-0.0902
2	O1     2.9431    -0.9126     0.7042	O.3	1	noname	-0.2015
3	O2    -2.1443    -0.4232    -0.6870	O.2	1	noname	-0.2961
4	O3     2.6882     1.1974     1.4496	O.2	1	noname	-0.2476
5	N1     0.0657    -0.5583     0.3412	N.3	1	noname	-0.0713
6	C1     1.0648     0.4307    -0.0656	C.3	1	noname	0.1006
7	C2     0.4485     1.8034     0.2270	C.3	1	noname	-0.0195
8	C3    -1.0356     1.5135     0.4435	C.3	1	noname	0.0232
9	C4    -1.1834     0.0816    -0.0672	C.2	1	noname	0.0408
10	C5     2.2734     0.2592     0.7352	C.2	1	noname	0.1494
11	C6     3.6684    -1.3462     1.8454	C.3	1	noname	0.0661
12	C7     4.3297    -2.6934     1.5477	C.3	1	noname	0.0273
13	H1     1.2307     0.3416    -1.1392	H	1	noname	0.0578
14	H2     0.5695     2.4488    -0.6430	H	1	noname	0.0293
15	H3     0.8550     2.2703     1.1241	H	1	noname	0.0293
16	H4    -1.6309     2.1837    -0.1767	H	1	noname	0.0361
17	H5    -1.2281     1.5485     1.5158	H	1	noname	0.0361
18	H6     0.1983    -1.4176     0.7712	H	1	noname	0.1318
19	H7     2.9871    -1.4545     2.6894	H	1	noname	0.0581
20	H8     4.4352    -0.6111     2.0895	H	1	noname	0.0581
21	H9     3.5628    -3.4286     1.3036	H	1	noname	0.0410
22	H10     5.0110    -2.5852     0.7038	H	1	noname	0.0410
@<TRIPOS>BOND
1	1	12	1
2	2	10	1
3	2	11	1
4	3	9	2
5	4	10	2
6	5	6	1
7	5	9	1
8	5	18	1
9	6	7	1
10	6	10	1
11	6	13	1
12	7	8	1
13	7	14	1
14	7	15	1
15	8	9	1
16	8	16	1
17	8	17	1
18	11	12	1
19	11	19	1
20	11	20	1
21	12	21	1
22	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1