@<TRIPOS>MOLECULE
50352614
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.6123    -8.0486     2.5891	Br	1	noname	-0.0490
2	C1     2.5840    -6.1920     2.6194	C.2	1	noname	0.0419
3	C2     2.4637    -5.4593     1.4106	C.2	1	noname	0.0563
4	C3     2.6815    -5.5021     3.8404	C.2	1	noname	0.0451
5	C4     2.1325    -6.0346     0.1551	C.2	1	noname	0.0175
6	C5     2.4837    -4.0691     1.5735	C.2	1	noname	0.0846
7	S1     2.6244    -3.8233     3.3161	S.3	1	noname	-0.1823
8	N1     2.2459    -5.4407    -1.0425	N.2	1	noname	-0.1583
9	N2     1.5351    -7.2167    -0.0725	N.3	1	noname	-0.0006
10	N3     2.2736    -3.1536     0.6088	N.3	1	noname	-0.1096
11	N4     1.7675    -6.1980    -1.9664	N.2	1	noname	-0.1677
12	C6     1.3119    -7.3155    -1.3885	C.2	1	noname	-0.0063
13	C7     2.1561    -1.7809     0.8946	C.2	1	noname	0.1410
14	O1     2.4156    -1.3170     2.0259	O.2	1	noname	-0.2699
15	C8     1.6904    -0.8843    -0.2637	C.3	1	noname	0.0854
16	N5     1.7334     0.4638     0.2321	N.3	1	noname	-0.1261
17	C9     2.8666     1.1382    -0.1769	C.2	1	noname	0.0949
18	C10     0.8023     1.0507     1.1009	C.2	1	noname	0.0008
19	O2     3.6392     0.5921    -0.9939	O.2	1	noname	-0.2785
20	C11     3.1746     2.4287     0.3045	C.2	1	noname	0.0472
21	C12     1.0882     2.3869     1.6077	C.2	1	noname	-0.0060
22	C13    -0.4132     0.4084     1.5385	C.2	1	noname	0.0349
23	C14     2.2765     3.0425     1.2060	C.2	1	noname	-0.0059
24	C15     0.2102     3.0695     2.4990	C.2	1	noname	0.0234
25	C16    -1.2856     1.0890     2.4295	C.2	1	noname	0.0753
26	C17    -0.9770     2.3974     2.8958	C.2	1	noname	0.0717
27	F1    -2.3808     0.5084     2.8243	F	1	noname	-0.1508
28	F2    -1.8027     2.9932     3.7057	F	1	noname	-0.1516
29	H1     2.7653    -6.0380     4.7859	H	1	noname	0.0752
30	H2     1.2961    -7.9089     0.6231	H	1	noname	0.1553
31	H3     2.2035    -3.4996    -0.3374	H	1	noname	0.1379
32	H4     0.8425    -8.1565    -1.8989	H	1	noname	0.1033
33	H5     2.4279    -0.9413    -1.0643	H	1	noname	0.0536
34	H6     0.6428    -1.1024    -0.4713	H	1	noname	0.0536
35	H7     4.0841     2.9391    -0.0124	H	1	noname	0.0675
36	H8    -0.6728    -0.5931     1.1952	H	1	noname	0.0671
37	H9     2.5033     4.0345     1.5967	H	1	noname	0.0631
38	H10     0.4389     4.0706     2.8644	H	1	noname	0.0661
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	1
5	3	6	2
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	6	7	1
11	8	11	1
12	9	12	1
13	10	13	1
14	11	12	2
15	13	14	2
16	13	15	1
17	15	16	1
18	16	17	1
19	16	18	1
20	17	19	2
21	17	20	1
22	18	21	2
23	18	22	1
24	20	23	2
25	21	24	1
26	21	23	1
27	22	25	2
28	24	26	2
29	25	27	1
30	25	26	1
31	26	28	1
32	4	29	1
33	9	30	1
34	10	31	1
35	12	32	1
36	15	33	1
37	15	34	1
38	20	35	1
39	22	36	1
40	23	37	1
41	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1