@<TRIPOS>MOLECULE
86278206
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     3.9419     0.6552    -0.0299	Br	1	noname	-0.0440
2	O1     1.6464    -1.3741     0.1232	O.2	1	noname	-0.2796
3	O2    -1.9760     1.3972     0.0864	O.2	1	noname	-0.2810
4	N1    -0.1749    -0.0191     0.1065	N.3	1	noname	0.0905
5	N2     0.1218     2.3179    -0.0100	N.3	1	noname	0.0268
6	C1    -1.0218    -1.1440     0.1805	C.3	1	noname	0.0235
7	C2    -1.2914    -1.4837     1.6478	C.3	1	noname	-0.0396
8	C3    -2.3448    -0.8334    -0.5225	C.3	1	noname	-0.0485
9	C4     1.1922    -0.2103     0.0805	C.2	1	noname	0.0872
10	C5    -0.7362     1.2391     0.0622	C.2	1	noname	0.0270
11	C6     0.0316    -1.7943     2.3508	C.3	1	noname	-0.0639
12	C7     1.4971     2.1819    -0.0387	C.2	1	noname	-0.0191
13	C8     2.1002     0.8905     0.0061	C.2	1	noname	0.0767
14	C9     2.3400     3.3715    -0.1156	C.3	1	noname	-0.0279
15	H1    -0.5419    -1.9928    -0.3067	H	1	noname	0.0475
16	H2    -1.9461    -2.3533     1.7050	H	1	noname	0.0280
17	H3    -1.7712    -0.6349     2.1350	H	1	noname	0.0280
18	H4    -2.9995    -1.7030    -0.4653	H	1	noname	0.0246
19	H5    -2.8246     0.0153    -0.0352	H	1	noname	0.0246
20	H6    -2.1527    -0.5914    -1.5678	H	1	noname	0.0246
21	H7    -0.1605    -2.0363     3.3960	H	1	noname	0.0231
22	H8     0.5114    -2.6431     1.8635	H	1	noname	0.0231
23	H9     0.6863    -0.9247     2.2935	H	1	noname	0.0231
24	H10    -0.2568     3.2104    -0.0419	H	1	noname	0.1382
25	H11     2.1532     4.0059     0.7508	H	1	noname	0.0290
26	H12     2.1078     3.9230    -1.0266	H	1	noname	0.0290
27	H13     3.3885     3.0736    -0.1285	H	1	noname	0.0290
@<TRIPOS>BOND
1	1	13	1
2	2	9	2
3	3	10	2
4	4	6	1
5	4	9	1
6	4	10	1
7	5	10	1
8	5	12	1
9	5	24	1
10	6	7	1
11	6	8	1
12	6	15	1
13	7	11	1
14	7	16	1
15	7	17	1
16	8	18	1
17	8	19	1
18	8	20	1
19	9	13	1
20	11	21	1
21	11	22	1
22	11	23	1
23	12	13	2
24	12	14	1
25	14	25	1
26	14	26	1
27	14	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1