@<TRIPOS>MOLECULE
DB03477
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.2717     4.1280     0.0999	Br	1	noname	-0.0508
2	C1     1.3717     2.5040     0.1304	C.2	1	noname	-0.0187
3	C2     2.1392     1.2924     0.0553	C.2	1	noname	-0.0280
4	C3    -0.0587     2.5152     0.2280	C.2	1	noname	-0.0280
5	C4     1.4255     0.0507     0.0042	C.2	1	noname	-0.0310
6	C5    -0.7344     1.2583     0.1788	C.2	1	noname	-0.0310
7	C6    -0.0212     0.0157    -0.0054	C.2	1	noname	-0.0290
8	C7    -0.8083    -1.1324    -0.3687	C.2	1	noname	-0.0307
9	N1    -2.1403    -1.2559    -0.2048	N.3	1	noname	0.0133
10	C8    -0.4265    -2.2256    -1.1453	C.2	1	noname	0.0425
11	N2    -2.6108    -2.2839    -0.8464	N.2	1	noname	-0.2527
12	C9    -2.8882    -0.4210     0.5296	C.2	1	noname	0.0157
13	C10    -1.5968    -2.9129    -1.4617	C.2	1	noname	0.0715
14	C11    -4.2580    -0.6298     0.6401	C.2	1	noname	-0.0198
15	C12    -2.2942     0.6536     1.1810	C.2	1	noname	-0.0198
16	C13    -1.7011    -4.0989    -2.3068	C.3	1	noname	0.4346
17	C14    -5.0338     0.2362     1.4019	C.2	1	noname	0.0164
18	C15    -3.0699     1.5196     1.9429	C.2	1	noname	0.0164
19	F1    -2.5136    -3.8273    -3.3772	F	1	noname	-0.1644
20	F2    -2.2328    -5.1326    -1.5800	F	1	noname	-0.1644
21	F3    -0.4546    -4.4503    -2.7568	F	1	noname	-0.1644
22	C16    -4.4397     1.3109     2.0533	C.2	1	noname	-0.0028
23	S1    -5.4052     2.3887     3.0015	S	1	noname	-0.1273
24	O1    -4.4579     3.3815     3.8046	O.2	1	noname	-0.2001
25	O2    -6.2847     1.5497     4.0266	O.2	1	noname	-0.2001
26	N3    -6.4458     3.3001     1.9592	N.3	1	noname	-0.0110
27	H1     3.2289     1.3146     0.0377	H	1	noname	0.0634
28	H2    -0.6133     3.4473     0.3359	H	1	noname	0.0634
29	H3     1.9913    -0.8804    -0.0280	H	1	noname	0.0629
30	H4    -1.8193     1.2470     0.2842	H	1	noname	0.0629
31	H5     0.5872    -2.4907    -1.4459	H	1	noname	0.0666
32	H6    -4.7238    -1.4725     0.1293	H	1	noname	0.0643
33	H7    -1.2200     0.8173     1.0944	H	1	noname	0.0643
34	H8    -6.1079     0.0725     1.4885	H	1	noname	0.0640
35	H9    -2.6041     2.3623     2.4537	H	1	noname	0.0640
36	H10    -6.1729     4.2238     1.6554	H	1	noname	0.1404
37	H11    -7.3256     2.9079     1.6554	H	1	noname	0.1404
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	1
10	8	10	2
11	9	11	1
12	9	12	1
13	10	13	1
14	11	13	2
15	12	14	2
16	12	15	1
17	13	16	1
18	14	17	1
19	15	18	2
20	16	19	1
21	16	20	1
22	16	21	1
23	17	22	2
24	18	22	1
25	22	23	1
26	23	24	2
27	23	25	2
28	23	26	1
29	3	27	1
30	4	28	1
31	5	29	1
32	6	30	1
33	10	31	1
34	14	32	1
35	15	33	1
36	17	34	1
37	18	35	1
38	26	36	1
39	26	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1