@<TRIPOS>MOLECULE
91617870
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     3.6603     0.4875     1.6392	Br	1	noname	-0.0479
2	Br2     1.7369     2.6333    -3.3040	Br	1	noname	-0.0507
3	Br3    -6.5404    -4.7523     1.1814	Br	1	noname	-0.0508
4	O1    -1.2670    -1.3017    -1.7531	O.2	1	noname	-0.2745
5	O2     1.1131    -1.0478     1.5063	O.3	1	noname	-0.2708
6	N1    -1.6213    -1.2794     0.5625	N.3	1	noname	-0.1378
7	C1     0.1782    -0.1221    -0.5840	C.2	1	noname	0.0301
8	C2    -2.7090    -2.0817     0.7071	C.2	1	noname	-0.0194
9	C3    -0.9679    -0.9259    -0.5915	C.2	1	noname	0.0973
10	C4     1.1747    -0.2035     0.4279	C.2	1	noname	0.0685
11	C5     0.3699     0.7544    -1.6945	C.2	1	noname	0.0219
12	C6    -3.1453    -2.4123     2.0163	C.2	1	noname	-0.0277
13	C7    -3.4217    -2.6020    -0.4024	C.2	1	noname	-0.0277
14	C8     2.3386     0.5856     0.3117	C.2	1	noname	0.0256
15	C9     1.5341     1.5276    -1.8124	C.2	1	noname	-0.0139
16	C10    -4.2986    -3.2206     2.1861	C.2	1	noname	-0.0281
17	C11    -4.5500    -3.3979    -0.2409	C.2	1	noname	-0.0281
18	C12     2.5149     1.4407    -0.8049	C.2	1	noname	0.0187
19	C13    -5.0025    -3.7072     1.0498	C.2	1	noname	-0.0239
20	H1    -1.2488    -0.9151     1.3778	H	1	noname	0.1374
21	H2    -0.3353     0.8338    -2.4488	H	1	noname	0.0643
22	H3    -2.6314    -2.0708     2.8438	H	1	noname	0.0639
23	H4    -3.1624    -2.4218    -1.3689	H	1	noname	0.0639
24	H5     3.3660     2.0037    -0.8768	H	1	noname	0.0647
25	H6    -4.6220    -3.4424     3.1465	H	1	noname	0.0635
26	H7    -5.0401    -3.7354    -1.0725	H	1	noname	0.0635
27	H8     0.3695    -1.6727     1.3851	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	14	1
2	2	15	1
3	3	19	1
4	4	9	2
5	5	10	1
6	5	27	1
7	6	8	1
8	6	9	1
9	6	20	1
10	7	9	1
11	7	10	2
12	7	11	1
13	8	12	2
14	8	13	1
15	10	14	1
16	11	15	2
17	11	21	1
18	12	16	1
19	12	22	1
20	13	17	2
21	13	23	1
22	14	18	2
23	15	18	1
24	16	19	2
25	16	25	1
26	17	19	1
27	17	26	1
28	18	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1