@<TRIPOS>MOLECULE
194423-06-8
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1     1.5077     0.1306    -0.8574	C.3	1	noname	-0.0022
2	C2     0.2094     0.1424    -0.4367	C.1	1	noname	-0.0478
3	C3    -0.9237     0.1062    -0.0585	C.1	1	noname	0.0387
4	C4    -2.1395     0.0004     0.3730	C.2	1	noname	0.1030
5	O1    -2.7245    -1.0786     0.1236	O.2	1	noname	-0.2624
6	N1    -2.7023     1.0338     1.0657	N.3	1	noname	-0.1297
7	C5    -3.8877     1.0530     1.7543	C.2	1	noname	-0.0111
8	C6    -4.4969    -0.1014     2.3021	C.2	1	noname	0.0056
9	C7    -5.7024    -0.0278     3.0415	C.2	1	noname	-0.0053
10	C8    -6.2816     1.2534     3.2628	C.2	1	noname	0.0535
11	C9    -5.6727     2.4113     2.7400	C.2	1	noname	0.0006
12	C10    -4.4934     2.3081     1.9801	C.2	1	noname	-0.0090
13	N2    -7.4248     1.3627     3.9857	N.2	1	noname	-0.2437
14	C11    -8.0353     0.2739     4.5074	C.2	1	noname	0.0505
15	N3    -7.4999    -0.9544     4.3095	N.2	1	noname	-0.2330
16	C12    -6.3586    -1.1621     3.5997	C.2	1	noname	0.0469
17	N4    -5.8375    -2.4174     3.4095	N.3	1	noname	0.0059
18	C13    -6.0676    -3.6186     4.0319	C.2	1	noname	-0.0232
19	C14    -7.0979    -3.9184     4.9575	C.2	1	noname	-0.0324
20	C15    -7.1965    -5.1976     5.5398	C.2	1	noname	-0.0249
21	C16    -6.2765    -6.2036     5.1961	C.2	1	noname	-0.0570
22	C17    -5.2568    -5.9284     4.2713	C.2	1	noname	-0.0547
23	C18    -5.1561    -4.6483     3.6974	C.2	1	noname	-0.0552
24	Br1    -8.5460    -5.5605     6.7689	Br	1	noname	-0.0507
25	H1     2.1700     0.1246     0.0083	H	1	noname	0.0366
26	H2     1.6868    -0.7611    -1.4582	H	1	noname	0.0366
27	H3     1.7030     1.0188    -1.4582	H	1	noname	0.0366
28	H4    -2.1739     1.8946     1.0692	H	1	noname	0.1381
29	H5    -4.0254    -1.0724     2.1507	H	1	noname	0.0647
30	H6    -6.1154     3.3902     2.9240	H	1	noname	0.0646
31	H7    -4.0447     3.2094     1.5624	H	1	noname	0.0640
32	H8    -8.9536     0.3858     5.0840	H	1	noname	0.1062
33	H9    -5.1528    -2.4669     2.6686	H	1	noname	0.1357
34	H10    -7.8261    -3.1529     5.2259	H	1	noname	0.0651
35	H11    -6.3536    -7.1938     5.6451	H	1	noname	0.0634
36	H12    -4.5444    -6.7073     3.9995	H	1	noname	0.0623
37	H13    -4.3584    -4.4508     2.9813	H	1	noname	0.0639
@<TRIPOS>BOND
1	1	2	1
2	2	3	3
3	3	4	1
4	4	5	2
5	4	6	1
6	6	7	1
7	7	8	2
8	8	9	1
9	9	10	2
10	10	11	1
11	11	12	2
12	7	12	1
13	10	13	1
14	13	14	2
15	14	15	1
16	15	16	2
17	9	16	1
18	16	17	1
19	17	18	1
20	18	19	2
21	19	20	1
22	20	21	2
23	21	22	1
24	22	23	2
25	18	23	1
26	20	24	1
27	1	25	1
28	1	26	1
29	1	27	1
30	6	28	1
31	8	29	1
32	11	30	1
33	12	31	1
34	14	32	1
35	17	33	1
36	19	34	1
37	21	35	1
38	22	36	1
39	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1