@<TRIPOS>MOLECULE
DB04168
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.3709    -1.6698     0.0000	Br	1	noname	-0.0438
2	C1     1.4311    -0.0682     0.0000	C.2	1	noname	0.0301
3	C2     2.0927     1.1980     0.0000	C.2	1	noname	0.0942
4	C3     0.0011    -0.0282    -0.0000	C.2	1	noname	0.0603
5	O1     3.4417     1.2498     0.0000	O.3	1	noname	-0.2436
6	N1     1.3602     2.3706    -0.0000	N.2	1	noname	-0.2160
7	N2    -0.6846     1.1767     0.0000	N.2	1	noname	-0.2441
8	C4    -0.7144    -1.2199    -0.0000	C.2	1	noname	-0.0283
9	C5    -0.0230     2.3868     0.0000	C.2	1	noname	0.0929
10	C6    -2.1042    -1.1961    -0.0000	C.2	1	noname	-0.0297
11	C7    -0.0401    -2.4354    -0.0000	C.2	1	noname	-0.0297
12	N3    -0.6998     3.5434     0.0000	N.3	1	noname	-0.0778
13	C8    -2.8197    -2.3878    -0.0000	C.2	1	noname	-0.0520
14	C9    -0.7556    -3.6271    -0.0000	C.2	1	noname	-0.0520
15	C10    -2.1454    -3.6033    -0.0000	C.2	1	noname	-0.0476
16	H1     3.7615     1.2621     0.9051	H	1	noname	0.2199
17	H2    -2.6330    -0.2430    -0.0000	H	1	noname	0.0629
18	H3     1.0498    -2.4540    -0.0000	H	1	noname	0.0629
19	H4    -0.1998     4.4210     0.0000	H	1	noname	0.1273
20	H5    -1.7097     3.5375     0.0000	H	1	noname	0.1273
21	H6    -3.9095    -2.3692    -0.0000	H	1	noname	0.0622
22	H7    -0.2268    -4.5802    -0.0000	H	1	noname	0.0622
23	H8    -2.7064    -4.5378    -0.0000	H	1	noname	0.0622
@<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	2
7	4	8	1
8	6	9	2
9	7	9	1
10	8	10	2
11	8	11	1
12	9	12	1
13	10	13	1
14	11	14	2
15	13	15	2
16	14	15	1
17	5	16	1
18	10	17	1
19	11	18	1
20	12	19	1
21	12	20	1
22	13	21	1
23	14	22	1
24	15	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1