@<TRIPOS>MOLECULE
76965700
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -5.7503     2.6353     1.8716	Br	1	noname	-0.0508
2	N1    -0.1864    -0.1328    -0.3214	N.3	1	noname	-0.0448
3	N2     0.3743     1.8990     0.2022	N.2	1	noname	-0.2423
4	C1    -1.8562    -1.7641     0.2423	C.3	1	noname	0.0310
5	C2    -0.9063    -1.2320    -0.8327	C.3	1	noname	-0.0322
6	C3    -2.7887    -0.7106     0.6324	C.2	1	noname	-0.0494
7	C4    -2.6017    -2.9024    -0.2871	C.2	1	noname	-0.0521
8	C5    -2.8296    -0.2719     1.9508	C.2	1	noname	-0.0491
9	C6    -3.6355    -0.1463    -0.3144	C.2	1	noname	-0.0491
10	C7    -2.4991    -4.1459     0.3254	C.2	1	noname	-0.0575
11	C8    -3.4140    -2.7425    -1.4037	C.2	1	noname	-0.0575
12	C9     0.9874    -0.1960     0.3141	C.2	1	noname	-0.0714
13	C10    -0.5640     1.1506    -0.3911	C.2	1	noname	-0.0488
14	C11    -3.7174     0.7310     2.3222	C.2	1	noname	-0.0347
15	C12    -4.5233     0.8567     0.0570	C.2	1	noname	-0.0347
16	C13    -3.2088    -5.2296    -0.1786	C.2	1	noname	-0.0610
17	C14    -4.1237    -3.8261    -1.9077	C.2	1	noname	-0.0610
18	C15    -4.5642     1.2953     1.3754	C.2	1	noname	-0.0261
19	C16    -4.0211    -5.0697    -1.2952	C.2	1	noname	-0.0643
20	C17     1.3494     1.1014     0.6506	C.2	1	noname	0.0081
21	H1    -1.2801    -2.0799     1.1121	H	1	noname	0.0418
22	H2    -1.4824    -0.9163    -1.7025	H	1	noname	0.0482
23	H3    -0.2102    -2.0186    -1.1240	H	1	noname	0.0482
24	H4    -2.2082    -0.6860     2.6456	H	1	noname	0.0626
25	H5    -3.6054    -0.4682    -1.2818	H	1	noname	0.0626
26	H6    -1.9030    -4.2632     1.1447	H	1	noname	0.0625
27	H7    -3.4893    -1.8299    -1.8532	H	1	noname	0.0625
28	H8     1.5199    -1.0424     0.5152	H	1	noname	0.0808
29	H9    -1.4203     1.4983    -0.8226	H	1	noname	0.1015
30	H10    -3.7474     1.0529     3.2896	H	1	noname	0.0634
31	H11    -5.1447     1.2707    -0.6378	H	1	noname	0.0634
32	H12    -3.1336    -6.1421     0.2708	H	1	noname	0.0622
33	H13    -4.7198    -3.7088    -2.7270	H	1	noname	0.0622
34	H14    -4.5420    -5.8649    -1.6651	H	1	noname	0.0622
35	H15     2.1943     1.3899     1.1438	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