@<TRIPOS>MOLECULE
71306711
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.7024    -2.9808     4.2750	Br	1	noname	-0.0508
2	N1     1.0342    -2.5901     0.2975	N.3	1	noname	-0.0027
3	N2    -0.6503    -3.4724    -0.8508	N.2	1	noname	-0.2557
4	N3     0.9750    -4.8858    -0.2944	N.3	1	noname	-0.1282
5	C1     0.3875    -1.4703    -0.3597	C.3	1	noname	0.0667
6	C2     0.2526    -0.1159     0.3054	C.2	1	noname	-0.0449
7	C3    -0.9498    -2.1519    -0.7914	C.3	1	noname	0.0624
8	C4     2.0822    -2.6196     1.2597	C.2	1	noname	-0.0254
9	C5     1.3480     0.5047     0.9707	C.2	1	noname	-0.0444
10	C6     2.7037    -0.1015     1.0430	C.3	1	noname	0.0435
11	C7     2.8409    -1.4597     1.6305	C.2	1	noname	-0.0398
12	C8     0.4497    -3.6878    -0.2362	C.2	1	noname	-0.1101
13	C9    -0.9409     0.6529     0.1794	C.2	1	noname	-0.0516
14	C10     1.2084     1.8088     1.5080	C.2	1	noname	-0.0575
15	C11     2.4389    -3.8266     1.9459	C.2	1	noname	-0.0464
16	C12     3.8728    -1.5915     2.6082	C.2	1	noname	-0.0351
17	C13    -1.0476     1.9572     0.6921	C.2	1	noname	-0.0630
18	C14     0.0303     2.5374     1.3619	C.2	1	noname	-0.0613
19	C15     3.5887    -3.9591     2.7225	C.2	1	noname	-0.0404
20	C16     4.2840    -2.8251     3.0893	C.2	1	noname	-0.0444
21	H1     0.9438    -1.2723    -1.2849	H	1	noname	0.0546
22	H2    -1.7350    -2.0646    -0.0394	H	1	noname	0.0535
23	H3    -1.3120    -1.8274    -1.7707	H	1	noname	0.0535
24	H4     3.1300    -0.1218     0.0461	H	1	noname	0.0366
25	H5     3.3447     0.5934     1.5967	H	1	noname	0.0366
26	H6    -1.7559     0.2991    -0.3175	H	1	noname	0.0626
27	H7     1.9849     2.2720     1.9891	H	1	noname	0.0625
28	H8     1.9050    -4.6820     1.8673	H	1	noname	0.0639
29	H9     4.3869    -0.7919     2.9413	H	1	noname	0.0638
30	H10    -1.9056     2.4943     0.5784	H	1	noname	0.0622
31	H11    -0.0276     3.4869     1.7375	H	1	noname	0.0622
32	H12     3.8588    -4.8988     3.0491	H	1	noname	0.0635
33	H13     1.8886    -4.9524    -0.0252	H	1	noname	0.1268
34	H14     0.4379    -5.5002     0.2299	H	1	noname	0.1268
@<TRIPOS>BOND
1	1	20	1
2	2	5	1
3	2	8	1
4	2	12	1
5	3	7	1
6	3	12	2
7	4	12	1
8	4	33	1
9	4	34	1
10	5	6	1
11	5	7	1
12	5	21	1
13	6	9	1
14	6	13	2
15	7	22	1
16	7	23	1
17	8	11	2
18	8	15	1
19	9	10	1
20	9	14	2
21	10	11	1
22	10	24	1
23	10	25	1
24	11	16	1
25	13	17	1
26	13	26	1
27	14	18	1
28	14	27	1
29	15	19	2
30	15	28	1
31	16	20	2
32	16	29	1
33	17	18	2
34	17	30	1
35	18	31	1
36	19	20	1
37	19	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1