@<TRIPOS>MOLECULE
76964466
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.3260     4.0434     0.0222	Br	1	noname	-0.0470
2	Cl1    -4.8099    -3.3887     0.7814	Cl	1	noname	-0.0835
3	O1     3.6345     0.2325    -1.0222	O.3	1	noname	-0.2133
4	O2     3.6932     2.1505     0.1568	O.2	1	noname	-0.2518
5	N1     0.9251     0.0323    -0.0174	N.3	1	noname	0.0086
6	N2    -2.4900     3.0438     0.5860	N.1	1	noname	-0.1800
7	C1    -0.3551     0.3673     0.1887	C.2	1	noname	-0.0130
8	C2    -1.4123    -0.5241     0.3294	C.2	1	noname	-0.0284
9	C3    -0.4523     1.7474     0.2387	C.2	1	noname	0.0525
10	C4     1.6509     1.1533    -0.1010	C.2	1	noname	-0.0145
11	C5     0.8253     2.2554     0.0543	C.2	1	noname	0.0723
12	C6    -1.3748    -1.7542    -0.3167	C.2	1	noname	-0.0286
13	C7    -2.5070    -0.1853     1.1161	C.2	1	noname	-0.0286
14	C8    -2.4320    -2.6456    -0.1761	C.2	1	noname	-0.0201
15	C9    -3.5642    -1.0767     1.2568	C.2	1	noname	-0.0201
16	C10     3.0239     1.2045    -0.3117	C.2	1	noname	0.0943
17	C11    -3.5267    -2.3069     0.6107	C.2	1	noname	-0.0076
18	C12    -1.5313     2.4338     0.4226	C.1	1	noname	0.0804
19	H1     1.2687    -0.8716    -0.0933	H	1	noname	0.1530
20	H2    -0.5715    -2.0028    -0.8941	H	1	noname	0.0630
21	H3    -2.5345     0.7174     1.5903	H	1	noname	0.0630
22	H4    -2.4045    -3.5483    -0.6502	H	1	noname	0.0638
23	H5    -4.3675    -0.8282     1.8341	H	1	noname	0.0638
24	H6     4.4396     0.4376    -1.5420	H	1	noname	0.2217
@<TRIPOS>BOND
1	1	11	1
2	2	17	1
3	3	16	1
4	3	24	1
5	4	16	2
6	5	7	1
7	5	10	1
8	5	19	1
9	6	18	3
10	7	8	1
11	7	9	2
12	8	12	2
13	8	13	1
14	9	11	1
15	9	18	1
16	10	11	2
17	10	16	1
18	12	14	1
19	12	20	1
20	13	15	2
21	13	21	1
22	14	17	2
23	14	22	1
24	15	17	1
25	15	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1