@<TRIPOS>MOLECULE
DB06978
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -0.8440    -1.6486    -0.0612	Br	1	noname	-0.0450
2	C1     0.0508    -0.0222    -0.0116	C.2	1	noname	0.0416
3	C2     1.4377     0.0056     0.0760	C.2	1	noname	0.0622
4	C3    -0.6664     1.1674    -0.0619	C.2	1	noname	0.0554
5	O1     2.1343    -1.1498     0.1248	O.3	1	noname	-0.2707
6	C4     2.1075     1.2230     0.1131	C.2	1	noname	0.0033
7	O2    -2.0135     1.1404    -0.1469	O.3	1	noname	-0.2729
8	C5     0.0034     2.3849    -0.0247	C.2	1	noname	-0.0046
9	Br2     3.9605     1.2601     0.2300	Br	1	noname	-0.0479
10	C6     1.3903     2.4126     0.0628	C.2	1	noname	0.0069
11	C7    -0.6983     3.5488    -0.0740	C.2	1	noname	0.0248
12	N1    -0.0840     4.6655    -0.0399	N.2	1	noname	-0.2690
13	N2    -0.7315     5.7396    -0.0853	N.3	1	noname	0.0605
14	C8    -0.0858     6.9132    -0.0495	C.2	1	noname	0.0500
15	O3     1.1615     6.9382     0.0292	O.2	1	noname	-0.2848
16	C9    -0.8030     8.1029    -0.0998	C.2	1	noname	-0.0220
17	C10    -0.1332     9.3203    -0.0627	C.2	1	noname	-0.0035
18	C11    -2.1900     8.0751    -0.1874	C.2	1	noname	-0.0035
19	C12    -0.8504    10.5099    -0.1130	C.2	1	noname	-0.0148
20	C13    -2.9071     9.2647    -0.2377	C.2	1	noname	-0.0148
21	C14    -2.2374    10.4821    -0.2005	C.2	1	noname	0.0188
22	O4    -2.9339    11.6375    -0.2494	O.3	1	noname	-0.2748
23	C15    -3.2625    12.0483     1.0696	C.3	1	noname	0.0423
24	H1     2.2825    -1.3956     1.0409	H	1	noname	0.2182
25	H2    -2.3897     1.1329     0.7363	H	1	noname	0.2182
26	H3     1.9156     3.3673     0.0919	H	1	noname	0.0643
27	H4    -1.7855     3.5878    -0.1428	H	1	noname	0.0860
28	H5    -1.7365     5.6622    -0.1485	H	1	noname	0.1593
29	H6     0.9544     9.3421     0.0060	H	1	noname	0.0631
30	H7    -2.7152     7.1204    -0.2165	H	1	noname	0.0631
31	H8    -0.3252    11.4646    -0.0839	H	1	noname	0.0650
32	H9    -3.9948     9.2429    -0.3063	H	1	noname	0.0650
33	H10    -3.4185    11.1696     1.6955	H	1	noname	0.0535
34	H11    -2.4471    12.6452     1.4780	H	1	noname	0.0535
35	H12    -4.1743    12.6452     1.0476	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	2
8	6	9	1
9	6	10	2
10	8	11	1
11	8	10	1
12	11	12	2
13	12	13	1
14	13	14	1
15	14	15	2
16	14	16	1
17	16	17	2
18	16	18	1
19	17	19	1
20	18	20	2
21	19	21	2
22	20	21	1
23	21	22	1
24	22	23	1
25	5	24	1
26	7	25	1
27	10	26	1
28	11	27	1
29	13	28	1
30	17	29	1
31	18	30	1
32	19	31	1
33	20	32	1
34	23	33	1
35	23	34	1
36	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1