@<TRIPOS>MOLECULE
DB03272
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.4442    -1.9377    -0.1149	Br	1	noname	-0.0462
2	C1     1.4829    -0.3506    -0.1863	C.2	1	noname	0.0810
3	C2     0.0987    -0.2124    -0.1505	C.2	1	noname	0.0719
4	C3     2.0025     0.9317    -0.2860	C.2	1	noname	0.0151
5	N1    -0.1629     1.0978    -0.2267	N.2	1	noname	-0.2810
6	C4    -0.8337    -1.2387    -0.0540	C.2	1	noname	0.0399
7	N2     0.9489     1.7575    -0.3052	N.3	1	noname	0.0093
8	C5     3.4123     1.3050    -0.3557	C.3	1	noname	0.4318
9	C6    -2.1918    -0.9438    -0.0291	C.2	1	noname	0.0792
10	C7    -0.4080    -2.5600     0.0176	C.2	1	noname	0.0470
11	C8     1.0380     3.1615    -0.3988	C.3	1	noname	-0.0287
12	F1     4.0565     0.8705     0.7739	F	1	noname	-0.1647
13	F2     3.9843     0.7262    -1.4591	F	1	noname	-0.1647
14	F3     3.5200     2.6687    -0.4473	F	1	noname	-0.1647
15	F4    -2.5903     0.2929    -0.0962	F	1	noname	-0.1560
16	C9    -3.1242    -1.9701     0.0673	C.2	1	noname	0.0464
17	C10    -1.3404    -3.5863     0.1141	C.2	1	noname	0.0302
18	C11    -2.6985    -3.2914     0.1389	C.2	1	noname	0.0635
19	C12    -0.9147    -4.9076     0.1857	C.2	1	noname	0.0919
20	Cl1    -3.8302    -4.5370     0.2560	Cl	1	noname	-0.0656
21	O1     0.1512    -5.2518    -0.3693	O.2	1	noname	-0.2580
22	O2    -1.6524    -5.8191     0.8545	O.3	1	noname	-0.2179
23	H1     0.6570    -2.7913    -0.0019	H	1	noname	0.0639
24	H2     1.0652     3.5914     0.6024	H	1	noname	0.0453
25	H3     1.9469     3.4330    -0.9357	H	1	noname	0.0453
26	H4     0.1705     3.5456    -0.9357	H	1	noname	0.0453
27	H5    -4.1892    -1.7389     0.0868	H	1	noname	0.0669
28	H6    -1.5452    -5.6866     1.7992	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	5	7	1
9	6	9	2
10	6	10	1
11	7	11	1
12	8	12	1
13	8	13	1
14	8	14	1
15	9	15	1
16	9	16	1
17	10	17	2
18	16	18	2
19	17	19	1
20	17	18	1
21	18	20	1
22	19	21	2
23	19	22	1
24	10	23	1
25	11	24	1
26	11	25	1
27	11	26	1
28	16	27	1
29	22	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1