@<TRIPOS>MOLECULE
76965701
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -5.1232    -6.4187    -1.7870	Br	1	noname	-0.0508
2	N1    -0.1937    -0.1039    -0.3118	N.3	1	noname	-0.0448
3	N2     0.4138     1.9273     0.1595	N.2	1	noname	-0.2423
4	C1    -1.8979    -1.6827     0.2966	C.3	1	noname	0.0310
5	C2    -0.9396    -1.1991    -0.7936	C.3	1	noname	-0.0322
6	C3    -2.6702    -2.8168    -0.2023	C.2	1	noname	-0.0494
7	C4    -2.8054    -0.5991     0.6625	C.2	1	noname	-0.0521
8	C5    -2.5937    -4.0466     0.4409	C.2	1	noname	-0.0491
9	C6    -3.4821    -2.6667    -1.3206	C.2	1	noname	-0.0491
10	C7    -2.8327    -0.1268     1.9695	C.2	1	noname	-0.0575
11	C8    -3.6422    -0.0398    -0.2962	C.2	1	noname	-0.0575
12	C9     0.9803    -0.1775     0.3224	C.2	1	noname	-0.0714
13	C10    -0.5427     1.1855    -0.4126	C.2	1	noname	-0.0488
14	C11    -3.3290    -5.1264    -0.0341	C.2	1	noname	-0.0347
15	C12    -4.2174    -3.7464    -1.7956	C.2	1	noname	-0.0347
16	C13    -3.6967     0.9048     2.3179	C.2	1	noname	-0.0610
17	C14    -4.5062     0.9918     0.0522	C.2	1	noname	-0.0610
18	C15    -4.1408    -4.9762    -1.1524	C.2	1	noname	-0.0261
19	C16    -4.5334     1.4641     1.3592	C.2	1	noname	-0.0643
20	C17     1.3721     1.1194     0.6254	C.2	1	noname	0.0081
21	H1    -1.3265    -1.9895     1.1727	H	1	noname	0.0418
22	H2    -1.5110    -0.8923    -1.6697	H	1	noname	0.0482
23	H3    -0.2621    -2.0081    -1.0668	H	1	noname	0.0482
24	H4    -1.9980    -4.1568     1.2615	H	1	noname	0.0626
25	H5    -3.5382    -1.7642    -1.7926	H	1	noname	0.0626
26	H6    -2.2186    -0.5373     2.6730	H	1	noname	0.0625
27	H7    -3.6222    -0.3864    -1.2553	H	1	noname	0.0625
28	H8     1.4943    -1.0303     0.5433	H	1	noname	0.0808
29	H9    -1.3923     1.5414    -0.8506	H	1	noname	0.1015
30	H10    -3.2729    -6.0288     0.4379	H	1	noname	0.0634
31	H11    -4.8131    -3.6362    -2.6162	H	1	noname	0.0634
32	H12    -3.7166     1.2514     3.2770	H	1	noname	0.0622
33	H13    -5.1202     1.4023    -0.6513	H	1	noname	0.0622
34	H14    -5.1675     2.2211     1.6148	H	1	noname	0.0622
35	H15     2.2248     1.4011     1.1092	H	1	noname	0.0853
@<TRIPOS>BOND
1	1	18	1
2	2	5	1
3	2	12	1
4	2	13	1
5	3	13	2
6	3	20	1
7	4	5	1
8	4	6	1
9	4	7	1
10	4	21	1
11	5	22	1
12	5	23	1
13	6	8	2
14	6	9	1
15	7	10	2
16	7	11	1
17	8	14	1
18	8	24	1
19	9	15	2
20	9	25	1
21	10	16	1
22	10	26	1
23	11	17	2
24	11	27	1
25	12	20	2
26	12	28	1
27	13	29	1
28	14	18	2
29	14	30	1
30	15	18	1
31	15	31	1
32	16	19	2
33	16	32	1
34	17	19	1
35	17	33	1
36	19	34	1
37	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1